CAS No.: 76-01-7 Formula: C2HCl5 Molecular Weight: 202.29400
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CAS No.: 76-01-7 Formula: C2HCl5 Molecular Weight: 202.29400
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Pentachloroethane is a non-flammable but toxic chemical compound of chlorine, hydrogen, and carbon. It is used as a solvent for oil and grease, in metal cleaning, and in the separation of coal from impurities.

Basic Info

Chemical Name pentachloroethane

Pentachloroethane; Ethane, pentachloro-;

CAS No. 76-01-7
Molecular Formula C2HCl5
Molecular Weight 202.29400
PSA 0.00000
LogP 3.16030


Appearance & Physical State colourless liquid with a camphor-like smell
Density 1.68
Boiling Point 159ºC
Melting Point -29ºC
Flash Point 162ºC
Refractive Index n20/D 1.502(lit.)
Stability Stable. Non-flammable. Incompatible with strong oxidizing agents. May react violently with alkalies or metals.
Storage Condition 2-8ºC

Safety Info

RTECS KI6300000
Hazard Class 6.1
Safety Statements S23-S36/37-S45-S61
WGK Germany 2
Packing Group II
RIDADR UN 1669 6.1/PG 2
Risk Statements R40; R48/23; R51/53
Hazard Codes T; N
SDS 1.0 Expand

SDS 1.0

Download/Modify | Technical supported by For US version, EU version (23 languages) and more, please refer to


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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017


1.1 GHS Product identifier

Product name pentachloroethane

1.2 Other means of identification

Product number -
Other names Pentachloroethane

1.3 Recommended use of the chemical and restrictions on use

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

1.4 Supplier's details


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

Carcinogenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 1

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

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H351 Suspected of causing cancer

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)

P201 Obtain special instructions before use.

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

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

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

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.


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

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.


P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
pentachloroethane pentachloroethane 76-01-7 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. 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. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Irritation of skin, lungs, eyes, and mucous membrane; depression of central nervous system; and toxicity similar to tetrachloroethanes. (USCG, 1999)

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. /Halogenated aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire use water, carbon dioxide, dry chemical.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Contain irritating and toxic chloride vapors. Behavior in Fire: Decomposes and produces toxic 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: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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. Do NOT let this chemical enter the environment.

6.3 Methods and materials for containment and cleaning up

Absorb the spills with paper towels or the like materials. Place in a hood to evaporate. Dispose by burning the towel.

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, strong bases and powdered metals. Well closed. Keep in a well-ventilated room.Separated from food and feedstuffs, strong bases and powdered metals. Well closed. Keep in a well-ventilated room.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Handle with care in the workplace.

NIOSH considers ethylene dichloride; hexachloroethane; 1,1,2,2-tetrachloroethane; and 1,1,2-trichloroethane; to be potential occupational carcinogens. Additionally, NIOSH recommends that the other five chloroethane compounds: 1,1-dichloroethane; ethyl chloride; methyl chloroform; pentachloroethane; and 1,1,1,2-tetrachloroethane be treated in the workplace with caution because of their structural similarity to the four chloroethanes shown to be carcinogenic in animals.

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 with a camphor-like smell
Odour Chloroform-like
Melting point/ freezing point -95°C(lit.)
Boiling point or initial boiling point and boiling range 162°C
Flammability Combustible LiquidNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit Not flammable by standard tests in air.
Flash point -22°C(lit.)
Auto-ignition temperature May self-ignite.
Decomposition temperature no data available
pH no data available
Kinematic viscosity 2.49X10-3 Pa-sec at 20°C
Solubility less than 0.1 mg/mL at 21.11°C
Partition coefficient n-octanol/water (log value) log Kow = 3.22
Vapour pressure 3.4 mm Hg at 20°C ; 6 mm Hg at 30°C
Density and/or relative density 1.68
Relative vapour density 7.2 (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

MODERATE, WHEN EXPOSED TO HEAT OR FLAME.The vapour is heavier than air.A mixture of PENTACHLOROETHANE with potassium may explode after a short delay. Reaction with alkalis or metals will produce a violent reaction. This compound also reacts violently with NaK alloy + bromoform. It is incompatible with strong oxidizing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Mixtures of sodium-potassium alloy & ... pentachloroethane can explode on standing at room temperature. They are especially sensitive to impact.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 920 mg/kg
  • Inhalation: LC50 Rat inhalation 4238 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


Evaluation: No epidemiological data relevant to the carcinogenicity of pentachloroethane were found. There is limited evidence in experimental animals for the carcinogenicity of pentachloroethane. Overall evaluation: Pentachloroethane is not classifiable as to its carcinogenicity to humans (Group 3).

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; Species: Lepomis macrochirus (Bluegill, weight 0.32-1.2 g); Conditions: freshwater, static, 21-23°C, pH 6.5-7.9, hardness 32-48 mg/L CaCO3, alkalinity 28-34 mg/L CaCO3, conductivity 93-190 umhos/cm, dissolved oxygen 0.3-9.7 mg/L; Concentration: 8.2 mg/L for 24 hr />80% purity
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea, age <24 hr, first instar); Conditions: freshwater, static, 20°C, pH 7.1-7.7, hardness 44.7 mg/L CaCO3 (43.5-47.5 mg/L CaCO3); alkalinity 41.5 mg/L CaCO3 (37.0-45.5 mg/L CaCO3); Concentration: 4700 ug/L for 48 hr; Effect: intoxication, immobilization /95-99% purity
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

ANAEROBIC: The degradation of pentachloroethane in the environment is expected to be dominated by abiotic processes(1,2). Pentachloroethane at a concentration of approximately 0.9 umol/L in groundwater samples (pH 6.6-6.7, 25°C) was degraded by greater than 90% and approximately 100% after 30 days in an non-steriled and sterile (poisoned by addition of 10 mg/L deoxygenated mercuric chloride) sample, respectively(1). Pentachloroethane at a concentration of 5 umol/L in anoxic lake water containing high concentrations of the reductants hydrogen sulfide and polysulfide was degraded by 91 and 86% after 10 days in unaltered and filter sterilized systems, respectively (pH 6.8, 25°C)(2).

12.3 Bioaccumulative potential

A bioconcentration factor of 67 was measured for pentachloroethane in bluegill sunfish(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

12.4 Mobility in soil

The Koc of pentachloroethane is estimated as 1340(SRC), using a log Kow of 3.22(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pentachloroethane is expected to have low mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods


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: UN1669 IMDG: UN1669 IATA: UN1669

14.2 UN Proper Shipping Name


14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable


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
pentachloroethane pentachloroethane 76-01-7 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) 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 12, 2017
Revision Date Aug 12, 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%


  • IPCS - The International Chemical Safety Cards (ICSC), website:
  • HSDB - Hazardous Substances Data Bank, website:
  • IARC - International Agency for Research on Cancer, website:
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website:
  • CAMEO Chemicals, website:
  • ChemIDplus, website:
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website:
  • Germany GESTIS-database on hazard substance, website:
  • ECHA - European Chemicals Agency, website:

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 : PredictExpand

NMR Spectrum 1H NMR : Predict

SOLUTION (10% IN CCl4 FOR 3800-1330, 10% IN CS2 FOR 1330-400 CM-1)Expand

GC Analysis

Total 12 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Packed OV-1 100. 965. isothermal
Packed OV-1 125. 978. isothermal
Packed OV-1 75. 957. isothermal
Packed SP-1000 125. 1454.62 isothermal
Packed SP-1000 75. 1431.59 isothermal
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