1,3,5-trichlorobenzene
CAS No.: 108-70-3 Formula: C6H3Cl3 Molecular Weight: 181.44700
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1,3,5-trichlorobenzene

CAS No.: 108-70-3 Formula: C6H3Cl3 Molecular Weight: 181.44700
Suppliers: All (56) China Suppliers (56) Price Available (12) Contractor (3)

Description

1,3,5-Trichlorobenzene is an organochlorine compound. It is one of the three isomers of trichlorobenzene. Being more symmetrical than the other isomers, it exists as colourless crystals whereas the other isomers are liquids at room temperature.
It is not formed upon chlorination of benzene. Instead it is prepared by the Sandmeyer reaction from 3,5-dichloroaniline.

Basic Info

Chemical Name 1,3,5-trichlorobenzene
Synonyms

1,3,5-TRICHLORO-BENZENE; s-Trichlorobenzene; sym-Trichlorobenzene; 1,3,5-Trichlorobenzene; 3,5-dichlorophenyl chloride; Benzene, 1,3,5-trichloro-; Benzene,1,3,5-trichloro; Expand

CAS No. 108-70-3
Molecular Formula C6H3Cl3
Molecular Weight 181.44700
PSA 0.00000
LogP 3.64680

Numbering system

MDL number MFCD00000585
EINECS number 203-608-6
RTECS number DC2100100
BRN number 1635233

Properties

Appearance & Physical State White Crystal
Density 1.448 g/cm3
Boiling Point 208ºC
Melting Point 63-65ºC
Flash Point 126ºC
Refractive Index 1.5662 (20ºC)
Stability Stable. Incompatible with acids, strong oxidizing agents.
Storage Condition 0-6ºC
Vapor Pressure 0.267mmHg at 25°C

Safety Info

RTECS DC2100100
Hazard Class 9
Safety Statements S36/37
HS Code 2903999090
Packing Group III
WGK Germany 3
RIDADR UN 3077
Risk Statements R22; R38
Hazard Codes Xn
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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 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3,5-trichlorobenzene

1.2 Other means of identification

Product number -
Other names 1,3,5-TRICHLORO-BENZENE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
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

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

H412 Harmful to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

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/...

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

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

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

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

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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
1,3,5-trichlorobenzene 1,3,5-trichlorobenzene 108-70-3 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound include skin, eye and mucous membrane irritation; and hair loss. ACUTE/CHRONIC HAZARDS: This compound may cause skin, eye and mucous membrane irritation.

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

Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

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: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.

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 strong oxidants. Keep in a well-ventilated room.In general it is unsafe to store oxidizers close to liquids of low flash point. ... Keep all flammables away from an area where oxidizing agents are stored. This storage area should be kept cool and ventilated, and should be fireproof.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 White Crystal
Colour Needles
Odour no data available
Melting point/ freezing point 63-65ºC
Boiling point or initial boiling point and boiling range 208ºC
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 126ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.841 mPa.s at 70°C
Solubility less than 0.1 mg/mL at 19.5°C
Partition coefficient n-octanol/water (log value) log Kow = 4.19
Vapour pressure 0.267mmHg at 25°C
Density and/or relative density 1.448 g/cm3
Relative vapour density 6.26 (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under normal laboratory storage conditions. Volatile with steam.

10.3 Possibility of hazardous reactions

Moderate when exposed to heat or flame.Can react vigorously with oxidizing materials. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... Can react vigorously with oxidizing materials.

10.6 Hazardous decomposition products

The substance decomposes on burning producing toxic and corrosive fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 800 mg/kg
  • Inhalation: no data available
  • 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

no data available

Reproductive toxicity

no data available

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: LD50; Species: Oncorhynchus mykiss (Rainbow trout weight 9.1-43.2 g, length 7.6-9.6 cm); Conditions: freshwater, gavage, 13.3-14.1°C, pH 8.04-8.21, alkalinity 86 mg/L CaCO3, dissolved oxygen 8.0-10.0 mg/L; Concentration: 39.6 mmol/kg /formulated product
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 1,3,5-Trichlorobenzene was resistant to biodegradation when exposed to mixed cultures of microorganisms adapted to phenol for an unspecified period of time(1). 1,3,5-Trichlorobenzene incubated in domestic wastewater for 24 and 135 hours showed 0% biodegradation, while 1,3,5-trichlorobenzene incubated in adapted wastewater showed 20 and 47% biodegradation after 24 and 135 hours, respectively(2). 1,3,5-Trichlorobenzene, present at 100 mg/L, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(3). The half-life of 1,3,5-trichlorobenzene in sewage sludge amended soil was 24 days(4). 1,3,5-Trichlorobenzene showed no biodegradation when incubated in sediment from freshwater streams in the Netherlands(5). 1,3,5-Trichlorobenzene was found to be persistent when a concn of 28 uM was incubated for 4 days(6). These data suggest that biodegradation is not an important environmental fate process(SRC).

12.3 Bioaccumulative potential

BCFs of 600-1,600 and 150-1,700 were measured in carp exposed for a 6 week incubation period at concns of 25 and 2.5 ug/L of 1,3,5-trichlorobenzene, respectively(1). Trout exposed to 1,3,5-trichlorobenzene for up to 119 days had a mean BCF of 1,800(2). Guppy (Poecilia reticulata) had a BCF of 756 wet weight but was calculated as 14,000 based on lipid weight for 1,3,5-trichlorobenzene(3). According to a classification scheme(4), these BCF values suggest that bioconcentration in aquatic organisms is high to very high. 1,3,5-Trichlorobenzene had a measured BCF of 2 in pond snail (Lymnaea stagnalis) after 10 days of exposure(5).

12.4 Mobility in soil

Measured log Koc values for 1,3,5-trichlorobenzene of 2.8(1), 3.09(2), 3.2(3), 3.69(4), 3.79(5) and 3.82(6), were reported in soil. According to a recommended classification scheme(7), these Koc values suggest that 1,3,5-trichlorobenzene has low to no mobility in soil(SRC).

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: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
1,3,5-trichlorobenzene 1,3,5-trichlorobenzene 108-70-3 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 20, 2017
Revision Date Aug 20, 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 : parameter in CDCl3Expand

NMR Spectrum 1H NMR : parameter in CDCl3

Collapse

C6 H3 Cl3 0.052 g : 0.5 ml CDCl3
1,3,5-trichlorobenzene

Parameter ppm Hz
D(A) 7.253

IR : KBr discExpand
Mass Expand
Raman : 4880 A,100M,powderExpand
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