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107-05-1

107-05-1 structural image
Product Name: Allyl chloride
Formula: C3H5Cl
Synonyms: 3-Chloro-1-propene;Allyl chloride;Allyl chloride, 3-Chloropropylene;Chlorallylene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Allyl chloride appears as a clear colorless liquid with an unpleasant pungent odor. Flash point -20 °F. Boiling point 113 °F. Less dense than water (7.8 lb / gal) and insoluble in water. Hence floats on water. Vapor irritates skin, eyes and mucous membranes. Vapors are heavier than air. Long exposure to low concentrations or short exposure to high concentrations may have adverse health effects from inhalation or skin absorption.
Color/Form RED LIQUID
Odor Pungent, unpleasant odor.
Boiling Point 113 °F at 760 mmHg (NTP, 1992)
Melting Point -210.1 °F (NTP, 1992)
Flash Point -25 °F (NTP, 1992)
Solubility 1 to 10 mg/mL at 66 °F (NTP, 1992)
Density 0.94 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 2.64 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 340 mmHg at 68 °F ; 440 mmHg at 86 °F (NTP, 1992)
LogP 2.1
Autoignition Temperature 737 °F (USCG, 1999)
Corrosivity Allyl chloride will attack some forms of plastics, rubber, and coatings.
Heat of Vaporization 29.04 KJ/mol
Surface Tension 0.0289 N/m at 15 °C
Ionization Potential 10.05 eV
Polymerization At elevated temp as in fire conditions, polymerization may take place with possible container rupture. Acid catalysts, such as lewis type and ziegler type catalysts, sulfuric acid, ferric chloride, and aluminum chloride, may cause violent polymerization.
Odor Threshold Odor Threshold Low: 0.48 [mmHg] Odor Threshold High: 5.9 [mmHg] Odor threshold from AIHA
Refractive Index Index of refraction: 1.4157 at 20 °C/D
Relative Evaporation Rate 50% of the compound evaporated after 27 min in water at 25 °C at 1 ppm.
Kovats Retention Index 516 526 527.6 518.5 526 524.9
Other Experimental Properties Percent in saturated air: 48 at 25 °C; 1 mg/L is equivalent to 320 ppm & 1 ppm is equivalent to 3.13 mg/cu m at 25 °C
Chemical Classes Solvents -> Chlorinated Aliphatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H341:Germ cell mutagenicity
H351:Carcinogenicity
H371:Specific target organ toxicity, single exposure
H372:Specific target organ toxicity, repeated exposure
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 76.52 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 76.0079779 g/mol
Monoisotopic Mass 76.0079779 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 17.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Allyl chloride appears as a clear colorless liquid with an unpleasant pungent odor. Flash point -20 °F. Boiling point 113 °F. Less dense than water (7.8 lb / gal) and insoluble in water. Hence floats on water. Vapor irritates skin, eyes and mucous membranes. Vapors are heavier than air. Long exposure to low concentrations or short exposure to high concentrations may have adverse health effects from inhalation or skin absorption.

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