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Hexachlorobutadiene

Hexachlorobutadiene structure

CAS No:
87-68-3
Formula:
C4Cl6
Chemical Name:
Hexachlorobutadiene
Synonyms:
1,3-Butadiene,1,1,2,3,4,4-hexachloro-;Butadiene,hexachloro-;1,1,2,3,4,4-Hexachloro-1,3-butadiene;Hexachloro-1,3-butadiene;Hexachlorobutadiene;C 46;Perchlorobutadiene;Perchloro-1,3-butadiene;HCB;NSC 3701
Categories:
Chemical Reagents > Organic Reagents

Description

Hexachloro-1,3-butadiene is a colorless, oily liquid with a mild turpentine-like odor. The compound poorly dissolves in water (4mg/kg at 20°C), but miscible with ether and ethanol
[1]
. Hexachloro-1,3-butadiene is found predominantly as a by-product from the manufacture of chlorinated solvents and related products and is also used in some industrial processes, such as heat transfer liquid, reactant in chemical syntheses, organic solvent, wash liquor for hydrocarbon removal
[2][3]

Hexachlorobutadiene, Cl2C=C(Cl)C(Cl)=CCl2, is a colorless liquid at room temperature that has an odor similar to that of turpentine. It is a chlorinated aliphatic diene with niche applications but is most commonly used as a solvent for other chlorine-containing compounds.

Hexachlorobutadiene Basic Attributes

Molecular Weight：

260.76

Exact Mass：

260.76

BRN：

1766570

EC Number：

201-765-5

HScode：

2903299090

Characteristics

PSA：

XLogP3：

4.90

Appearance：

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.

Density：

1.556 g/cm³ @ Temp: 25 °C

Melting Point：

-21 °C

Boiling Point：

215 °C @ Press: 760 Torr

Flash Point：

210-220°C

Refractive Index：

n20/D 1.555(lit.)

Water Solubility：

(mg/L): 4.78 at 25 °C (shake flask-LSC, Banerjee et al., 1980) 4 at 20–25 °C (Geyer et al., 1980)

Storage Conditions：

+4°C

Vapor Pressure：

0.2 mm Hg ( 20 °C)

Vapor Density：

8.99

Toxicity：

Oral-rat LD50: 82 mg/kg;Oral-Mouse LD50: 87 mg/kg

Flammability characteristics：

High temperature, open flame can burn; burning releases toxic chloride fumes

Explosive limit：

Reacts with bromine perchlorate to form an explosive product.

Odor：

Mild, turpentine-like odor.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2279 6.1/PG 3

wgk germany：

hazard class code：

24/25-34-40-50/53-39/23/24/25-23/24/25-11

safety instructions：

26-36/37/39-45-61-60-36/37-16-7

RTECS Number：

EJ0700000

Marks：

T,N,F

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food additives

Explosive characteristics：

Reacts violently with oxidants

Stability/Shelf Life：

Stable. Incompatible with rubber, oxidizing agents.

Precautionary statement(s)：

P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310

Hazard Statements：

H301-H310-H315-H318-H351

RIDADR：

UN 2279

Toxicity

Toxicity class：

highly toxic

Hexachlorobutadiene Use and Manufacturing

Intermediate in the manufacture of rubber Compounds, chlorofluorocarbons, and lubricants.Hydraulic fluid, fluid for gyroscopes, heat transfer fluid, solvent, laboratory reagent.Soil fumigant for vineyards.

Computed Properties

Molecular Weight:260.8
XLogP3:4.8
Rotatable Bond Count:1
Exact Mass:259.810166
Monoisotopic Mass:257.813116
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1888-73-9

77-47-4

1888-73-9

7782-50-5

77-47-4