Hexachloro-1,3-butadiene
- CAS No.
- 87-68-3
- Chemical Name:
- Hexachloro-1,3-butadiene
- Synonyms
- HEXACHLOROBUTADIENE;HCBD;c46;Dolen-pur;Hexachlor-1,3-butadien;Butadiene, hexachloro-;hexachlorobuta-1,3-diene;C 46;Tripene;HexachL
- CBNumber:
- CB6854522
- Molecular Formula:
- C4Cl6
- Molecular Weight:
- 260.76
- MOL File:
- 87-68-3.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/2/27 17:16:38
| Melting point | -19 °C |
|---|---|
| Boiling point | 210-220 °C(lit.) |
| Density | 1.68 |
| vapor pressure | 0.2 mm Hg ( 20 °C) |
| refractive index |
n |
| Flash point | 210-220°C |
| storage temp. | +4°C |
| solubility | Soluble in ethanol and ether (U.S. EPA, 1985) |
| form | liquid, clear |
| Odor | faint turpentine odor |
| 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) |
| Merck | 14,4678 |
| BRN | 1766570 |
| Henry's Law Constant | 3.55, 5.87, 6.90, 10.5, and 15.3 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME, Dewulf et al., 1999) |
| Exposure limits | Potential occupational carcinogen. NIOSH REL: TWA 20 ppb (240 mg/m3); ACGIH TLV: TWA 0.02 ppm (adopted). |
| Dielectric constant | 2.6（Ambient） |
| Stability | Stable. Incompatible with rubber, oxidizing agents. |
| Surface tension | 36mN/m at 20°C |
| CAS DataBase Reference | 87-68-3(CAS DataBase Reference) |
| IARC | 3 (Vol. 73) 1999 |
| EPA Substance Registry System | Hexachlorobutadiene (87-68-3) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS06,GHS08,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301-H310-H315-H319-H351-H410 | |||||||||
| Precautionary statements | P202-P273-P280-P301+P310-P302+P352+P310-P305+P351+P338 | |||||||||
| Hazard Codes | T,N,F | |||||||||
| Risk Statements | 24/25-34-40-50/53-39/23/24/25-23/24/25-11 | |||||||||
| Safety Statements | 26-36/37/39-45-61-60-36/37-16-7 | |||||||||
| RIDADR | UN 2279 6.1/PG 3 | |||||||||
| OEB | C | |||||||||
| OEL | TWA: 0.02 ppm (0.24 mg/m3) [skin] | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | EJ0700000 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29032990 | |||||||||
| Hazardous Substances Data | 87-68-3(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 in male, female mice, rats (mg/kg): 105, 76, 216, 175 i.p.; 80, 65, 250, 270 orally (Gradiski) | |||||||||
| NFPA 704 |
|
Hexachloro-1,3-butadiene price More Price(7)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 48543 | Hexachloro-1,3-butadiene analytical standard | 87-68-3 | 5000MG | ₹10138.55 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 112194 | Hexachloro-1,3-butadiene 96% | 87-68-3 | 100G | ₹3639.75 | 2022-06-14 | Buy |
| ALFA India | ALF-A17316-30 | Hexachloro-1,3-butadiene, 97% | 87-68-3 | 250g | ₹12695 | 2022-05-26 | Buy |
| ALFA India | ALF-A17316-18 | Hexachloro-1,3-butadiene, 97% | 87-68-3 | 50g | ₹3449 | 2022-05-26 | Buy |
| ALFA India | ALF-A17316-0B | Hexachloro-1,3-butadiene, 97% | 87-68-3 | 1000g | ₹40884 | 2022-05-26 | Buy |
Hexachloro-1,3-butadiene Chemical Properties,Uses,Production
Description
Hexachlorobutadiene was first synthesized in 1877 by chlorination of hexyl iodide. It is an industrial by-product of tetrachloroethylene, trichloroethylene, and perchloroethylene production.
Chemical Properties
colourless liquid (typical odour recognition threshold:
Physical properties
Clear, yellowish-green liquid with a mild to pungent, turpentine-like odor. Odor threshold concentration is 6 ppb (quoted, Keith and Walters, 1992).
Uses
Hexachloro-1,3-butadiene is used as an urinary biomarker as a tool for early screening of potential kidney toxicity. Hexachloro-1,3-butadiene (HCBD) causes kidney injury.
General Description
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.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
Hexachloro-1,3-butadiene rapidly decomposes rubber on contact. Can react vigorously with oxidizing materials. Reacts to form an explosive product with bromine perchlorate. . Gives highly toxic and irritating chloride fumes when burned.
Hazard
Toxic by ingestion and inhalation, a questionable carcinogen.
Health Hazard
Poisonous; may be fatal if inhaled, swallowed or absorbed through the skin. Inhalation causes repiratory difficulty and irritation of mucous membranes. Skin and eye irritant; may cause burns.
Potential Exposure
Hexachlorobutadiene is used as a sol vent; heat-transfer fluid; transformer fluid; hydraulic fluid; as a solvent for elastomers; as a wash liquor for removing higher hydrocarbons.
Carcinogenicity
In rats given oral administration, it produced
benign and malignant tumors in the kidneys in both
sexes. The IARC then concluded that there is limited evidence
that HCBD is carcinogenic in rats.
Nakagawa et al. reported that HCBD is a potent nephrotoxicant
that selectively damaged the straight portion (pars
recta) of the proximal tubule in the rat. They also
reported administering 0.1% HCBD for 30 weeks to male
Wistar rats previously given 0.1% N-ethyl-N-hydroxyethylnitrosamine
(EHEN) in their drinking water for 2 weeks and
that the combined treatment resulted in a significantly higher
incidence of renal cell tumors than when EHEN was administered
alone.
Environmental Fate
Chemical/Physical. Hexachlorobutadiene will not hydrolyze to any reasonable extent (Kollig,
1993).
At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities
were 258, 91, 21, and 11 mg/g, respectively (Dobbs and Cohen, 1980).
Metabolic pathway
In the presence of glutathione (GSH), mouse liver microsomes and cytosol transform 14C-hexachloro- 1,3-butadiene (HCBD) to S- (pentachlorobutadienyl)glutathione (PCBG). PCBG formation in subcellular fractions from a mouse kidney is very limited. After an oral dose of HCBD to mice, PCBG in feces, and S-(pentachlorobutadienyl)-L- cysteine, N-acetyl-S-(pentachlorobutadienyl)-L- cysteine, and 1,1,2,3-tetrachlorobutenoic acid in the urine are identified as the metabolites.
Shipping
UN2279 Hexachlorobutadiene, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
Purification Methods
Wash the diene with four or five 1/10th volumes of MeOH (or until the yellow colour has been extracted), then stir it for 2hours with H2SO4, wash it with distilled water until neutral and filter it through a column of P2O5. Distil it under reduced pressure through a packed column. [Rytner & Bauer J Am Chem Soc 82 298 1960, Beilstein 1 IV 998.]
Incompatibilities
Strong reaction with oxidizers, aluminum powder. Attacks aluminum; some plastics, rubber and coatings
Waste Disposal
High temperature incineration with flue gas scrubbing. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform to EPA regulations governing storage, transportation, treatment, and waste disposal.
Hexachloro-1,3-butadiene Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6257 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
| Clearsynth Labs | 91-22-45045900 | Maharashtra, India | 3887 | 58 | Inquiry |
| HiMedia Laboratories | 91-22-61471919 | Maharashtra, India | 1841 | 58 | Inquiry |
| Jigs chemical | +91 (79) 26402695/26401498 | Gujarat, India | 318 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5870 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6905 | 58 | Inquiry |
| Central Drug House(P) Ltd. | 91-11-49404040 | New Delhi, India | 6157 | 58 | Inquiry |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | China | 52849 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | China | 29730 | 60 | Inquiry |
| Supplier | Advantage |
|---|---|
| CLEARSYNTH LABS LTD. | 58 |
| A.J Chemicals | 58 |
| Clearsynth Labs | 58 |
| HiMedia Laboratories | 58 |
| Jigs chemical | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| Central Drug House(P) Ltd. | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | 58 |
| Capot Chemical Co.,Ltd. | 60 |
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