87-68-3 structure, C4Cl6
hexachlorobutadiene
CAS No.: 87-68-3 Formula: C4Cl6 Molecular Weight: 260.76100
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hexachlorobutadiene

CAS No.:

87-68-3

Formula:

C4Cl6

Molecular Weight: 260.76100
Suppliers: All (22) China Suppliers (22) Price Available (6) Contractor (1)

Description

Hexachlorobutadiene, Cl2C=C(Cl)C(Cl)=CCl2, is a colorless liquid at room temperature that has an odor similar to that of turpentine. It is a chlorinated aliphatic diene with niche applications but is most commonly used as a solvent for other chlorine-containing compounds.

Basic Info

Chemical Name

hexachlorobutadiene

Synonyms

1,3-Butadiene, 1,1,2,3,4,4-hexachloro-; 1,1,2,3,4,4-hexachloro-1,3-butadiene; perchlorobuta-1,3-diene; Hexachlorobutadiene; 1,1,2,3,4,4-hexachlorobuta-1,3-diene;

CAS No.

87-68-3

Molecular Formula

C4Cl6

Molecular Weight

260.76100

PSA

0.00000

LogP

4.75740

Numbering system

MDL number MFCD00000836

Properties

Appearance & Physical State

colourless liquid

Density

1.655

Boiling Point

210-220ºC(lit.)

Melting Point

-19ºC

Flash Point

92.2ºC

Refractive Index

1.555

Stability

Stable. Incompatible with rubber, oxidizing agents.

Storage Condition

+4ºC

Vapor Pressure

0.2 mm Hg ( 20 °C)

Safety Info

RTECS

EJ0700000

Hazard Class

6.1

Safety Statements

S26; S36/37/39; S45

HS Code

2903299090

Packing Group

III

WGK Germany

3

RIDADR

UN 2279

Risk Statements

R24/25; R34; R40; R50/53

Hazard Codes

T; N

SDS 1.0

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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 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name hexachlorobutadiene

1.2 Other means of identification

Product number -
Other names 1,3-Butadiene, 1,1,2,3,4,4-hexachloro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Volatile organic compounds
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

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

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

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

H400 Very toxic to aquatic life

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.

P272 Contaminated work clothing should not be allowed out of the workplace.

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P391 Collect spillage.

Storage

none

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
hexachlorobutadiene hexachlorobutadiene 87-68-3 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. 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. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Poisonous; may be fatal if inhaled, swallowed or absorbed through the skin. Inhalation causes repiratory difficulty and irritation of mucous membranes. Skin and eye irritant; may cause burns. (USCG, 1999)

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

Basic treatment: Establish a patent airway. 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 normal saline 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 ... . Cover skin burns with sterile dressings after decontamination ... . /Halogenated aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire, use dry chemical, CO2, alcohol foam, water spray, fog, mist.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: They contain highly toxic and irritating chloride fumes. Behavior in Fire: May burn to produce highly toxic and irritating gases. (USCG, 1999)

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: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable 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

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers 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 food and feedstuffs. Well closed. Ventilation along the floor. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH considers hexachlorobutadiene to be a potential occupational carcinogen.

NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration.

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.02 ppm (0.24 mg/cu m), skin.

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 colourless liquid
Colour Clear, colorless liquid
Odour Mild, turpentine-like odor.
Melting point/ freezing point -19ºC
Boiling point or initial boiling point and boiling range 210-220ºC(lit.)
Flammability Combustible LiquidCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 92.2ºC
Auto-ignition temperature 610°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 2.447 centipoise at 37.7°C, 1.479 centistokes; 1.131 centipoise at 98.8°C, 0.724 centistokes.
Solubility less than 0.1 mg/mL at 22.22°C
Partition coefficient n-octanol/water (log value) log Kow = 4.78
Vapour pressure 0.2 mm Hg ( 20 °C)
Density and/or relative density 1.655
Relative vapour density 8.99 (Relative to 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

Combustible when exposed to heat or flame; can react vigorously with oxidizing materials.HEXACHLOROBUTADIENE rapidly decomposes rubber on contact. Can react vigorously with oxidizing materials. Reacts to form an explosive product with bromine perchlorate. . Gives highly toxic and irritating chloride fumes when burned.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Oxidizers.

10.6 Hazardous decomposition products

When heated to decomposition it emits very toxic fumes of /chlorine/ Cl-.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Guinea pig single oral 90 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

EPA: Possibly carcinogenic to humans. IARC: Not classifiable as to carcinogenicity to humans. NTP: Not evaluated

Reproductive toxicity

No information is available regarding the developmental or reproductive effects of hexachlorobutadiene in humans. One study reported that the frequency of abnormal sperm morphology did not increase significantly over controls in mice exposed to hexachlorobutadiene via inhalation. A study in rats exposed via inhalation reported no embryotoxic effects, except for a reduction in fetal body weights. Oral animal studies have reported reduced fertility, reduced fetal body weights, but no birth defects or other developmental effects from hexachlorobutadiene exposure.

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: no data available
  • 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: Hexachloro-1,3-butadiene may biodegrade in natural waters since 100% degradation occurred in 7 days in an aerobic batch culture incubated at 25°C and inoculated with settled domestic sewage(1). Estimated half-lives for hexachloro-1,3-butadiene disappearance based on monitoring data are 3-30 days in river water and 30-300 days in lake and ground waters(2). ANAEROBIC: Greater than 99% of hexachloro-1,3-butadiene transformed to (E,E)-1,2,3,4-tetrachlorobutadiene by reductive dechlorination in columns with Rhine sediment (Germany) operated at 20°C with methanogenic electron acceptors(3). Hexachloro-1,3-butadiene was only removed under methanogenic conditions using these sediments and not when oxygen or nitrate were present in the column experiments(4). Reductive dechlorination in the column was ascribed to the activity of anaerobic microorganisms(4).

12.3 Bioaccumulative potential

The mean bioconcentration factor (BCF) for rainbow trout exposed to 0.10 ng/l and 3.4 ng/l of hexachloro-1,3-butadiene was 5,800 and 17,000, respectively(1). The BCF for fathead minnow exposed to hexachloro-1,3-butadiene was 6,918(2). According to a classification scheme(3), these BCF values suggest bioconcentration in aquatic organisms is very high. The mean bioconcentration factor for hexachloro-1,3-butadiene between oligocheate worms and sediment in Lake Ontario near the Niagara River was 0.43(4). The concn of the chemical in the sediment pore water was the main factor affecting bioconcentration(4).

12.4 Mobility in soil

The Koc of hexachloro-1,3-butadiene ranges from 5.02X10+3 to 2.75X10+5(1-3). According to a classification scheme(4), these Koc values suggest that hexachloro-1,3-butadiene has slight 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: UN2279 IMDG: UN2279 IATA: UN2279

14.2 UN Proper Shipping Name

ADR/RID: HEXACHLOROBUTADIENE
IMDG: HEXACHLOROBUTADIENE
IATA: HEXACHLOROBUTADIENE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
hexachlorobutadiene hexachlorobutadiene 87-68-3 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) Not 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 18, 2017
Revision Date Aug 18, 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.

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87-68-3 NMR spectrum
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