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542-75-6

542-75-6 structural image
Product Name: 1,3-Dichloropropene
Formula: C3H4Cl2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,3-dichloropropene appears as a clear colorless liquid. Flash point 95 °F. Denser (at 10.2 lb / gal) than water and insoluble in water. Vapors are heavier than air. Used to make other chemicals and as soil fumigant.
Color/Form Colorless to straw-colored liquid
Odor Pungent odor
Taste Bitter
Boiling Point 219 °F at 760 mmHg (NTP, 1992)
Melting Point -119 °F (NTP, 1992)
Flash Point 95 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 61.7 °F (NTP, 1992)
Density 1.2 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 3.83 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 27.9 mmHg at 68 °F ; 28 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 2.06 (cis-isomer), 2.03 (trans-isomer) at 25 °C
Henry's Law Constant Henry's Law constant = 3.55X10-3 atm-cu m/mole at 20 °C
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, hydrogen chloride gas
Corrosivity Corrosive to aluminum, magnesium, and alloys of these metals
Heat of Vaporization 113 BTu/lb = 62.8 cal/g = 2.63x10+5 J/kg (est latent heat)
Surface Tension 31.2 dynes/cm = 0.0312 N/m at 24 °C
Odor Threshold Odor Threshold Low: 1.0 [mmHg] Odor Threshold High: 3.0 [mmHg] Odor thresholds (detection) from CHEMINFO
Refractive Index Index of refraction: 1.4735 at 22 °C/D
Relative Evaporation Rate 50% after 31 minutes from water at 25 °C of 1 ppm solution
Other Experimental Properties Conversion factor: 1 ppm = 4.54 mg/cu m
Chemical Classes Pesticides -> Fumigants

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H410:Hazardous to the aquatic environment, long-term 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.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 110.97 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 109.9690055 g/mol
Monoisotopic Mass 109.9690055 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 31.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1,3-dichloropropene appears as a clear colorless liquid. Flash point 95 °F. Denser (at 10.2 lb / gal) than water and insoluble in water. Vapors are heavier than air. Used to make other chemicals and as soil fumigant.