4-Chloronitrobenzene
CAS No.: 100-00-5 Formula: C6H4ClNO2 Molecular Weight: 157.55400
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4-Chloronitrobenzene

CAS No.: 100-00-5 Formula: C6H4ClNO2 Molecular Weight: 157.55400
Suppliers: All (61) China Suppliers (61) Price Available (13) Contractor (2)

Description

4-Nitrochlorobenzene is the organic compound with the formula ClC6H4NO2. It is a pale yellow solid. 4-Nitrochlorobenzene is a common intermediate in the production of a number of industrially useful compounds, including common antioxidants found in rubber. Other isomers with the formula ClC6H4NO2 include 2-nitrochlorobenzene and 3-nitrochlorobenzene.

Basic Info

Chemical Name 4-Chloronitrobenzene
Synonyms

1-chloro-4-nitrobenzene; Benzene, 1-chloro-4-nitro-;

CAS No. 100-00-5
Molecular Formula C6H4ClNO2
Molecular Weight 157.55400
PSA 45.82000
LogP 2.77140

Numbering system

MDL number MFCD00007285

Properties

Appearance & Physical State light yellow crystals
Density 1.298
Boiling Point 242ºC
Melting Point 81-84ºC
Flash Point 127ºC
Refractive Index 1.5376 (100ºC)
Water Solubility Insoluble
Stability Stable. Combustible. Incompatible with strong oxidizing agents, hydroxides. Reacts violently with sodium methoxide in methanol.
Storage Condition Store in a cool, dry place. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
Vapor Density 5.4 (vs air)
Vapor Pressure 0.09 mm Hg ( 25 °C)

Safety Info

RTECS CZ1050000
Hazard Class 6.1
Safety Statements S28-S36/37-S45-S61
HS Code 29049085
WGK Germany 2
Packing Group II
RIDADR UN 1578
Risk Statements R23/24/25; R40; R48/20/21/22; R51/53; R68
Hazard Codes T
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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 4-Chloronitrobenzene

1.2 Other means of identification

Product number -
Other names 1-chloro-4-nitrobenzene

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 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H341 Suspected of causing genetic defects

H351 Suspected of causing cancer

H411 Toxic 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.

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.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P311 Call a POISON CENTER/doctor/…

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

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

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

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
4-Chloronitrobenzene 4-Chloronitrobenzene 100-00-5 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

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. 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. Induce vomiting (ONLY IN CONSCIOUS PERSONS!).

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact Symptoms: Anoxia; unpleasant taste; anemia; methemoglobinemia Target Organs: Blood, liver, kidneys, cardiovascular system, spleen, bone marrow, reproductive system (NIOSH, 2016)

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

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Water may cause foaming or frothing. Use water spray, dry chemical, foam, or carbon dioxide. /chloronitrobenzens/

5.2 Specific hazards arising from the chemical

This compound 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

Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT absorb in saw-dust or other combustible absorbents. Do NOT let this chemical enter the environment. Personal protection: complete protective clothing including self-contained breathing apparatus.

6.3 Methods and materials for containment and cleaning up

Evacuate persons not wearing protective equipment from area of spill or leak until clean-up is complete. Remove all ignition sources. Dampen spilled material with alcohol to avoid dust, then transfer material to a suitable container. Use HEPA vacuum or wet method to reduce dist during clean-up. Do not dry sweep. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean-up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.

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 combustible substances, reducing agents and food and feedstuffs. Keep in a well-ventilated room.Store in cool, dry, well-ventilated location. Separate from alkalies and oxidizing materials. /Chloronitrobenzenes/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers p-nitrochlorobenzene to be a potential occupational carcinogen.

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 light yellow crystals
Colour Monoclinic prisms
Odour Sweet odor
Melting point/ freezing point 230°C(lit.)
Boiling point or initial boiling point and boiling range 242°C(lit.)
Flammability Solid that does not burn, or burns with difficulty.Combustible. Many reactions may cause fire or explosion.
Lower and upper explosion limit / flammability limit no data available
Flash point 107°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 1.07X10-3 Pa-s at 356.65 deg K
Solubility In water:Insoluble
Partition coefficient n-octanol/water (log value) log Kow = 2.39
Vapour pressure 0.09 mm Hg ( 25 °C)
Density and/or relative density 1.298
Relative vapour density 5.4 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

FIRE HAZARD SLIGHT WHEN EXPOSED TO HEAT OR FLAME.P-NITROCHLOROBENZENE reacts with oxidizing agents. Reacts violently and finally explosively when added to a solution of sodium methoxide in methanol. . Unstable when heated.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

A strong oxidizer. Reacts violently with oxidizers, combustibles, alkalis, sodium methoxide, and reducing materials.

10.6 Hazardous decomposition products

...WHEN HEATED TO DECOMPOSITION IT EMITS VERYY TOXIC FUMES OF /NITROGEN OXIDES AND HYDROGEN CHLORIDE./

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 530 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

Evaluation: There is inadequate evidence in humans for the carcinogenicity of chloronitrobenzenes. There is inadequate evidence in experimental animals for the carcinogenicity of chloronitrobenzenes. Overall evaluation: Chloronitrobenzenes are not classifiable as to their carcinogenicity to humans (Group 3). /Chloronitrobenzenes/

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: LC50 Lepomis macrochirus (bluegill sunfish) 70 ug/L for 96 hr, static
  • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea, <24 hr old); Conditions: freshwater, static, 20°C, pH 8.2, hardness 250 mg/L CaCO3, dissolved oxygen >6.5 mg/L; Concentration: 6700 ug/L for 48 hr (95% confidence interval: 3200-10000 ug/L) />98% purity
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 10 ug/mL 1-chloro-4-nitrobenzene inoculated with a mixed culture of microorganisms in soil was observed to be resistant to biodegradation (significant ring cleavage, as measured by UV absorbance, was not detected after 64 days)(1). 1-Chloro-4-nitrobenzene , present at 100 mg/L, reached 0 percent of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(2).

12.3 Bioaccumulative potential

Carp exposed to solutions containing 0.15 ppm 1-chloro-4-nitrobenzene for 8 weeks had BCF values ranging from 5.8-20.9, and carp exposed to solutions containing 0.015 ppm 1-chloro-4-nitrobenzene had BCF values ranging from 7.5-18.1(1). According to a classification scheme(2), these BCF values suggest bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-chloro-4-nitrobenzene can be estimated to be 310(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-4-nitrobenzene is expected to have moderate 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: UN1578 IMDG: UN1578 IATA: UN1578

14.2 UN Proper Shipping Name

ADR/RID: CHLORONITROBENZENES, SOLID
IMDG: CHLORONITROBENZENES, SOLID
IATA: CHLORONITROBENZENES, SOLID

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
4-Chloronitrobenzene 4-Chloronitrobenzene 100-00-5 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 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

C6 H4 Cl N O2 0.047 g : 0.5 ml CDCl3
p-chloronitrobenzene

Assign. Shift(ppm)
A 8.180
B 7.528

IR : KBr discExpand
Mass Expand
Raman : 4880 A,100M,powderExpand
ESR : ANION RADICAL, ELECTROLYTIC REDUCTIONExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 420 mg/kg 1.Behavioral-somnolence (general depressed activity)
2.Liver-fatty liver degeneration
3.Blood-methemoglobinemia-carboxyhemoglobin
Inhalation LCLo - Lowest published lethal concentration Rodent - rat 16100 mg/m3/4H 1.Details of toxic effects not reported other than lethal dose value
Administration onto the skin LD50 - Lethal dose, 50 percent kill Rodent - rat 16 gm/kg 1.Behavioral-food intake (animal)
2.Kidney, Ureter, Bladder-changes in tubules (including acute renal failure, acute tubular necrosis)
3.Blood-methemoglobinemia-carboxyhemoglobin
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