benzyl chloride
CAS No.: 100-44-7 Formula: C7H7Cl Molecular Weight: 126.58300
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benzyl chloride

CAS No.: 100-44-7 Formula: C7H7Cl Molecular Weight: 126.58300
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Description

Benzyl chloride, or α-chlorotoluene, is an organic compound with the formula C6H5CH2Cl. This colourless liquid is a reactive organochlorine compound that is a widely used chemical building block.

Basic Info

Chemical Name benzyl chloride
Synonyms

Benzyl chloride; α-Chlorotoluene; phenylmethyl chloride; Benzene, (chloromethyl)-; (Chloromethyl)benzene; Tolyl chloride; Expand

CAS No. 100-44-7
Molecular Formula C7H7Cl
Molecular Weight 126.58300
PSA 0.00000
LogP 2.42540

Properties

Appearance & Physical State colorless liquid
Density 1.1
Boiling Point 179ºC
Melting Point -39ºC
Flash Point 67ºC
Refractive Index 1.537-1.539
Water Solubility 0.3 g/L (20 ºC)
Stability Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures
Storage Condition 0-6ºC
Vapor Density 4.36 (vs air)
Vapor Pressure 10.3 mm Hg ( 60 °C)

Safety Info

RTECS XS8925000
Hazard Class 6.1
Safety Statements S45-S53
HS Code 2903999090
Packing Group II
WGK Germany 3
RIDADR UN 1738
Risk Statements R22; R23; R37/38; R41; R45; R48/22
Hazard Codes T
Signal Word Danger
Hazard Declaration H302; H315; H317; H318; H330; H335; H340; H350; H373
Symbol GHS05, GHS06, GHS08
Caution Statement P201; P260; P280; P304 + P340 + P310; P305 + P351 + P338 + P310
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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl chloride

1.2 Other means of identification

Product number -
Other names Benzene, (chloromethyl)-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical, perfume and flavor products. It is also used as a photographic developer. Benzyl chloride can be used in the manufacture of synthetic tannins and as a gum inhibitor in petrol. Benzyl chloride has been used as an irritant gas in chemical warfare.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – single exposure, Category 3

Carcinogenicity, Category 1B

Specific target organ toxicity – repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H331 Toxic if inhaled

H335 May cause respiratory irritation

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/…

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/…

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
benzyl chloride benzyl chloride 100-44-7 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Half-upright position. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Intensely irritating to skin, eyes, and mucous membranes. Highly toxic; may cause death or permanent injury after very short exposure to small quantities. Has been listed as a direct-acting or primary carcinogen. Large doses cause central nervous system depression. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, dry chemical, foam, or carbon dioxide. Use water to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.

5.2 Specific hazards arising from the chemical

It burns but does not ignite readily. It may ignite combustibles. When heated to decomposition, it emits toxic and corrosive fumes. Some organic chlorides decompose to yield phosgene. Incompatible with active metals such as copper, aluminum, magnesium, iron, zinc, and tin and keep from strong oxidizing agents. Avoid contact with acids or acid fumes. Keep separate from oxidizing materials. May become unstable at elevated temperatures and pressures; may react with water resulting in some nonviolent release of energy. Polymerizes with evolution of heat and hydrogen chloride when in contact with all common metals except nickel and lead. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered non-metallic containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Dry. Ventilation along the floor. Store only if stabilized.Separated from food and feedstuffs and incompatible materials . Ventilation along the floor. Store only if stabilized.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 15 Minute Ceiling value: 1 ppm (5 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state colorless liquid
Colour Colorless to slightly yellow liquid
Odour Rather unpleasant, irritating odor
Melting point/ freezing point 199°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 177-181°C(lit.)
Flammability Class IIIA Combustible Liquid: Fl.P. at or above 60°C and below 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.1% by volume; Upper flammable limit: 7.1% by volume
Flash point 67°C
Auto-ignition temperature 585°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.3 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 2.30
Vapour pressure 10.3 mm Hg ( 60 °C)
Density and/or relative density 1.1g/mLat 25°C(lit.)
Relative vapour density 4.36 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stablity during transport: stable

10.3 Possibility of hazardous reactions

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.Halogenated aliphatic compounds, such as BENZYL CHLORIDE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Will react with water or steam to produce toxic and corrosive fumes /HCl and chlorine gas/; can react vigorously with oxidizing materials.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen chloride/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1500 mg/kg
  • Inhalation: LC50 Mouse inhalation 0.39 mg/L (80 ppm)/2 hr
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

Evaluation: There is limited evidence in humans for the carcinogenicity of alpha-chlorinated toluenes and benzoyl chloride. There is sufficient evidence in experimental animals for the carcinogenicity of benzyl chloride. ... Overall evaluation: Combined exposures to alpha-chlorinated toluenes and benzoyl chloride are probably carcinogenic to humans (Group 2A). /alpha-Chlorinated toluenes & benzoyl chloride/

Reproductive toxicity

No studies were located regarding developmental or reproductive effects in humans from benzyl chloride exposure. (-) One animal study showed an increase in embryonal mortality, along with retarded development of the offspring in rats given benzyl chloride orally.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Pimephales promelas (fathead minnow); Conditions: /static/; Concentration: 11.6 mg/L for 24 hr
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Concentration: 4.2 mg/L for 24 hr; Effect: immobility /Conditions of bioassay not specified; from table
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Benzyl chloride, present at 100 mg/L, reached 70.9% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). Benzyl chloride biodegraded readily with the formation of dechlorinated products during a 2-day incubation period using raw sewage and raw sewage acclimated to non-chlorinated compounds(2). However, since benzyl chloride is subject to hydrolysis(3-5), it is probably the biodegradation of benzyl alcohol that is measured in these studies(SRC).

12.3 Bioaccumulative potential

An estimated BCF of 20 was calculated in fish for benzyl chloride(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of benzyl chloride is estimated as 100(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl chloride is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1738 IMDG: UN1738 IATA: UN1738

14.2 UN Proper Shipping Name

ADR/RID: BENZYL CHLORIDE
IMDG: BENZYL CHLORIDE
IATA: BENZYL CHLORIDE

14.3 Transport hazard class(es)

ADR/RID: 8 IMDG: 8 IATA: 8

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
benzyl chloride benzyl chloride 100-44-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

Collapse

C7 H7 Cl 0.04 ml : 0.5 ml CDCl3
benzyl chloride

Assign. Shift(ppm)
A 7.46 to 7.22
B 4.563

IR : CCl4 solutionExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,200 M,liquidExpand
ESR : REACTION WITH NA AT 77KExpand
UV/Visible spectrumExpand

GC Analysis

Total 17 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Packed SE-30 150. 1015. isothermal
Capillary DB-1 - 977.9 temperature ramp
Capillary DB-5 - 1023. temperature ramp
Capillary OV-1 - 985.6 temperature ramp
Capillary DB-1 - 1002. temperature ramp
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral TDLo - Lowest published toxic dose Rodent - rat 4836 mg/kg/26W-I 1.Cardiac-other changes
2.Gastrointestinal-necrotic changes
3.Related to Chronic Data-death
Oral TDLo - Lowest published toxic dose Rodent - mouse 7800 mg/kg/26W-I 1.Liver-other changes
Inhalation TCLo - Lowest published toxic concentration Rodent - mouse 46 ppm/6H/14D-I 1.Sense Organs and Special Senses (Olfaction)-effect, not otherwise specified
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