107-05-1 structure, C3H5Cl
Allyl chloride
CAS No.: 107-05-1 Formula: C3H5Cl Molecular Weight: 76.52480
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Allyl chloride

CAS No.:

107-05-1

Formula:

C3H5Cl

Molecular Weight: 76.52480
Suppliers: All (51) China Suppliers (51) Price Available (12) Contractor (3)

Description

Allyl chloride is the organic compound with the formula CH2=CHCH2Cl. This colorless liquid is insoluble in water but soluble in common organic solvents. It is mainly converted to epichlorohydrin, used in the production of plastics. It is a chlorinated derivative of propylene. It is an alkylating agent, which makes it both useful and hazardous to handle.

Numbering system

EINECS number 203-457-6
MDL number MFCD00000984
BRN number 635704
RTECS number UC7350000
PubChem number 24845883

Properties

Appearance & Physical State

clear liquid

Density

0.939

Boiling Point

44-46ºC

Melting Point

-136ºC

Freezing Point

-134.5℃

Flash Point

-29ºC

Refractive Index

1.414-1.416

Stability

Stability Stable, but reacts vigorously or violently with a wide variety of materials. Highly flammable. Incompatible with strong oxidizing agents, acids, amines, peroxides, chlorides of iron and aluminium, BF3, aromatic hydrocarbons, Lewis acids, metals,

Storage Condition

Refrigerator

Vapor Density

2.6 (vs air)

Vapor Pressure

20.58 psi ( 55 °C)

Safety Info

RTECS

UC7350000

Hazard Class

3

Safety Statements

S16-S25-S26-S36/37-S46-S61

HS Code

2903291000

Packing Group

I

WGK Germany

2

RIDADR

UN 1100

Risk Statements

R11; R20/21/22; R36/37/38; R40; R48/20; R50; R68

Hazard Codes

F

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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Allyl chloride

1.2 Other means of identification

Product number -
Other names 2-propenyl acetoacetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Almost all of the allyl chloride produced is used to make epichlorohydrin and glycerin. Allyl chloride is also used in the synthesis of allyl compounds such as allyl alcohol, allyl amines, allyl esters, and polyesters. Allyl chloride derivatives are found in varnish, plastics, adhesives, perfumes, pharmaceuticals, and insecticides.
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

Flammable liquids, Category 2

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

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

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

H341 Suspected of causing genetic defects

H351 Suspected of causing cancer

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

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

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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.

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

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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
Allyl chloride Allyl chloride 107-05-1 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. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap. 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. Give a slurry of activated charcoal in water to drink. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Causes marked irritation of skin and may burn. Burns the eyes; effect may be delayed. (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 ... . 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 dry sterile dressings after decontamination ... . /Dichloropropane, dichloropropene, and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, dry chemical, alcohol foam or carbon dioxide. Use water to keep fire-exposed containers cool. If leak or spill has not ignited, use water spray to disperse vapors and to provide protection for men attempting to stop leak. Water spray may be used to flush spills away from exposures.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Releases irritating hydrogen chloride gas on combustion (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

Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

6.3 Methods and materials for containment and cleaning up

Remove all ignition sources. Ventilate area of spill or leak. For small quantities, absorb on paper towels. Evaporate in safe place (such as fume hood). Allow sufficient time for evaporating vapors to completely clear hood ductwork. Burn paper in suitable location...

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

Fireproof. Separated from food and feedstuffs and incompatible materials. See Chemical Dangers. Dry.Ambient storage temperature, venting should be pressure-vacuum type.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 1 ppm (3 mg/cu m).

Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 2 ppm (6 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 clear liquid
Colour RED LIQUID
Odour Pungent, unpleasant odor.
Melting point/ freezing point 238°C(lit.)
Boiling point or initial boiling point and boiling range 45°C
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit Lower flammable limit: 2.9% by volume; Upper flammable limit: 11.1% by volume
Flash point -29°C(lit.)
Auto-ignition temperature 391.67°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility 1 to 10 mg/mL at 18.89°C
Partition coefficient n-octanol/water (log value) log Kow = 1.93 (est)
Vapour pressure 20.58 psi ( 55 °C)
Density and/or relative density 0.939
Relative vapour density 2.6 (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

Dangerous fire and explosion hazard when exposed to heat or flame ...The vapour is heavier than air and may travel along the ground; distant ignition possible.ALLYL CHLORIDE presents a serious fire and explosion hazard when exposed to heat, flame or oxidizing agents. Polymerizes violently and exothermically with Lewis acids (aluminum chloride, boron trifluoride, sulfuric acid) or metals (aluminum, magnesium, zinc, or galvanized metal) [MCA SD-99, 1973]. Incompatible with acids (nitric acid, chlorosulfonic acid, oleum), with strong bases (sodium hydroxide, potassium hydroxide), with ethyleneimine and ethylenediamine [Lewis, 3rd ed., 1993, p. 36]. Attempts to alkylate benzene or toluene using allyl chloride in the presence of ethylaluminum chlorides have led to explosions.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Contact with aluminum chloride, boron trifluoride, or sulfuric acid may cause a violent exothermic polymerization. Contact with aluminum, magnesium, zinc (or galvanized metals) may produce similar results.

10.6 Hazardous decomposition products

Toxic gases and vapors (such as ... phosgene and carbon monoxide) may be released in fire ... .

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 425 mg/kg
  • Inhalation: LC50 Mouse inhalation 11,500 mg/cu m/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

CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Classification is based on a low (but biologically important) incidence of forestomach tumors in female mice and positive results in a variety of genetic toxicity tests. Allyl chloride is an alkylating agent and structurally related to probable human carcinogens. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: Limited.

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) 59.3 mg/L/24 hr (95% confidence interval: 50.87-70.34 mg/L); static /formulated product
  • Toxicity to daphnia and other aquatic invertebrates: LC50 Daphnia magna (Waterflea) 250 mg/L/24 hr; static /formulated product
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Allyl chloride, present at 100 mg/L, reached 62% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). In a standard biodegradability test using a sewage seed, 14 and 25% of the theoretical BOD was achieved in 5 days using nonacclimated and acclimated seed, respectively(2). In a test using activated sludge, allyl chloride was readily biodegradable(3).

12.3 Bioaccumulative potential

BCF values of <0.14 and <1.3 when exposed to concns of 0.5 and 0.05 ppm, respectively, were measured for allyl chloride(SRC), using carp (Cyprinus carpio) which were exposed over a 6-week period(1). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of allyl chloride is estimated as 51(SRC), using a water solubility of 3,370 mg/L(1) and a regression derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that allyl 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: UN1100 IMDG: UN1100 IATA: UN1100

14.2 UN Proper Shipping Name

ADR/RID: ALLYL CHLORIDE
IMDG: ALLYL CHLORIDE
IATA: ALLYL CHLORIDE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

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
Allyl chloride Allyl chloride 107-05-1 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

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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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107-05-1 NMR spectrum
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GC Analysis

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