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87-68-3

87-68-3 structural image
Product Name: Hexachloro-1,3-butadiene
Formula: C4Cl6
Synonyms: Perchlorobutadiene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Hexachlorobutadiene appears as a colorless liquid with a mild odor. Insoluble in water and denser than water. Nonflammable. May be toxic by ingestion or inhalation. Used as a solvent and heat transfer fluid.
Color/Form Clear, colorless liquid
Odor Mild, turpentine-like odor.
Boiling Point 419 °F at 760 mmHg (NTP, 1992)
Melting Point -6 °F (NTP, 1992)
Flash Point 90 °C
Solubility less than 0.1 mg/mL at 72 °F (NTP, 1992)
Density 1.675 at 59.9 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 8.99 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.15 mmHg at 68 °F ; approximately 0.3 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 4.78
Henry's Law Constant Henry's Law constant = 1.03X10-2 atm-cu m/mole @ 20 °C
Autoignition Temperature 1130 °F (USCG, 1999)
Decomposition When heated to decomposition it emits very toxic fumes of /chlorine/ Cl-.
Viscosity 2.447 centipoise at 37.7 °C, 1.479 centistokes; 1.131 centipoise at 98.8 °C, 0.724 centistokes.
Odor Threshold Odor Threshold Low: 1.1 [mmHg] Odor threshold from CHEMINFO
Refractive Index Index of refraction: 1.5542 @ 20 °C/D
Kovats Retention Index 1196.1 1236.7 1208 1223 1224.7 1199.1 1213.2 1222.1 1206 1222
Other Experimental Properties Compatible with numerous resins.
Chemical Classes Other Classes -> Halogenated Aliphatics, Unsaturated

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H310:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H351:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 260.8 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 259.810166 g/mol
Monoisotopic Mass 257.813116 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 160
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

Hexachlorobutadiene is a colorless liquid with a turpentine-like odor. It is also called perchlorobutadiene. Hexachlorobutadiene is not found naturally in the environment. It is formed when other chemicals are made. Most hexachlorobutadiene used commercially in the United States is imported from Germany. It is mainly used to make rubber compounds. It is also used as a solvent, and to make lubricants, in gyroscopes, as a heat transfer liquid, and as a hydraulic fluid.