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78-99-9

78-99-9 structural image
Product Name: 1,1-DICHLOROPROPANE
Formula: C3H6Cl2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,1-dichloropropane is a colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor. (USCG, 1999)
Color/Form Liquid
Odor Sweet
Boiling Point 190.6 °F at 760 mmHg (USCG, 1999)
Flash Point 70 °F (est.) (USCG, 1999)
Solubility In water, 2,700 mg/L at 20 °C
Density 1.1321 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 3.9 (Air = 1)
Vapor Pressure 68.3 [mmHg]
LogP 2.3 (calculated)
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 1035 °F (USCG, 1999)
Decomposition Hazardous decomposition products formed under fire conditions: Carbon oxides, hydrogen chloride gas.
Heat of Combustion -6667 Btu/lb = -3704 cal/g
Refractive Index Index of refraction: 1.4289 at 20 °C/D
Kovats Retention Index 665.1 668 668
Other Experimental Properties Sinks in water. Produces irritating vapor
Chemical Classes Solvents -> Chlorinated Aliphatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 112.98 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 111.9846556 g/mol
Monoisotopic Mass 111.9846556 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 18.9
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

1,1-dichloropropane is a colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor. (USCG, 1999)