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107-05-1

Name Allyl chloride
CAS 107-05-1
EINECS(EC#) 203-457-6
Molecular Formula C3H5Cl
MDL Number MFCD00000984
Molecular Weight 76.52
MOL File 107-05-1.mol

Chemical Properties

Appearance Allyl chloride is a highly reactive and flammable, colorless, brown or purple liquid, with an unpleasant, pungent odor.
Melting point  -136 °C
Boiling point  44-46 °C(lit.)
density  0.939 g/mL at 25 °C(lit.)
vapor density  2.6 (vs air)
vapor pressure  20.58 psi ( 55 °C)
refractive index  n20/D 1.414(lit.)
Fp  −20 °F
storage temp.  Refrigerator
solubility  alcohol: miscible(lit.)
form  Powder/Solid
color  White
Specific Gravity 0.939
Odor pungent odor
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, caustics, ammonia, ferric chloride, ethylene imine, ethylenediamine. Heat and light se
explosive limit 3.3-11.2%(V)
Water Solubility  3.6 G/L (20 ºC)
FreezingPoint  -134.5℃
Merck  14,289
BRN  635704
Henry's Law Constant 2.69 at 25 °C (static headspace-GC, Welke et al., 1998)
Dielectric constant 8.2(20℃)
Exposure limits NIOSH REL: TWA 1 ppm (3 mg/m3), STEL 2 ppm (6 mg/m3), IDLH 250 ppm; OSHA PEL: TWA 1 ppm; ACGIH TLV: STEL 2 ppm.
LogP 2.1 at 25℃
CAS DataBase Reference 107-05-1(CAS DataBase Reference)
IARC 3 (Vol. 36, Sup 7, 71, 125) In prep.
NIST Chemistry Reference 1-Propene, 3-chloro-(107-05-1)
EPA Substance Registry System 107-05-1(EPA Substance)

Safety Data

Hazard Codes  F,Xn,N,T
Risk Statements 
R45:May cause cancer.
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R50:Very Toxic to aquatic organisms.
R68:Possible risk of irreversible effects.
R40:Limited evidence of a carcinogenic effect.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S46:If swallowed, seek medical advice immediately and show this container or label .
S25:Avoid contact with eyes .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
RIDADR  UN 1100 3/PG 1
WGK Germany  2
RTECS  UC7350000
19
Autoignition Temperature 390 °C
Hazard Note  Flammable
TSCA  Yes
HazardClass  3
PackingGroup  I
HS Code  29032990
Safety Profile
Suspected carcinogen with experimental tumorigenic data. Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion, inhalation, and skin contact. Experimental teratogenic and reproductive effects. A skin and eye irritant. Human mutation data reported. Chronic exposure may cause liver and lildney damage. The vapors of allyl chloride are quite irritating to the eyes, nose, and throat. Contact of the liquid with the skin may lead, in addition to local vasoconstriction and numbness, to rapid absorption and distribution through the body. If remedial measures are not taken promptly, such contact may result in burns and internal injuries. Inhalation may cause headache, dizziness, and in htgh concentration, loss of consciousness; however, even in low concentration, its odor in most cases is irritating enough to give warning of its presence. Concentration of the vapors high enough to cause serious effects, includlng damage to the lungs, especially on repeated exposure, may not be intolerable. Consequently, the warning characteristics should never be disregarded. In general, precautions should be taken AT ALL TIMES to avoid splllage and accumulation of noticeable concentration of the vapors in the atmosphere. Acute exposure in experimental animals has resulted in marked inflammation of lungs, irritation of skin, and swelling of the hdneys. Chronically exposed animals have shown degenerative changes in the liver and kidneys. Reported human exposures have been principally cases of irritation of the eyes, skin, and respiratory tract, sometimes accompanied by aches and pains in the bones. Liver and hdney injury is possible. Dangerous fire and explosion hazard when exposed to heat, flame, or oxidlzers. Vigorous or explosive reaction above -7O℃ with alkyl aluminum chlorides (e.g., trichlorotriethyl dialuminum, ethyl aluminum dichloride, or diethyl aluminum chloride) + aromatic hydrocarbons (e.g., benzene or toluene). Violently exothermic polymerization reaction with Lewis acids (e.g., aluminum chloride, boron trifluoride, or sulfuric acid) and metals (e.g., aluminum, magnesium, zinc, or galvanized metals). Incompatible with HNO3, ethylene imine, ethylenedlamine, chlorosulfonic acid, oleum, NaOH. To fight fire, use CO2, alcohol foam, dry chemical. See also CHLORINATED HYDROCARBONS; ALIPHATIC; ALLYL COMPOUNDS; and CHLORIDES. Storage and Handling: Keep cool, away from heat sources. Maintain good vendation. Work in a fume hood or with closed system if possible; otherwise, use adequate vendation so that the odor of allyl chloride does not persist. If it should be necessary to enter an area in which the odor of allyl chloride is at all noticeable, use a gas mask equipped with an “organic vapor” canister. Do not dlsregard the warning odor or eye irritation of allyl chloride
Hazardous Substances Data 107-05-1(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 0.7 g/kg (Smyth, Carpenter)
IDLA 250 ppm

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