2,4,4,4-Tetrachloro-1-butanol
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2,4,4,4-Tetrachloro-1-butanol
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CAS No:
3290-70-8
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Formula:
C4H6Cl4O
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Chemical Name:
2,4,4,4-Tetrachloro-1-butanol
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Synonyms:
1-Butanol,2,4,4,4-tetrachloro-;2,4,4,4-Tetrachloro-1-butanol;2,4,4,4-Tetrachlorobutanol
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CAS No:
Characteristics
20.2
1.61 (est)
1.51 g/cm3
247 °C
113.2ºC
1.512
24.0 g/l (est) in water.
Store closed containers in a well ventilated area.
0.0031 mm Hg @ 25 deg C (est)
Safety Information
Stable
Add dry absorbent and shovel or sweep up and place in an approved DOT container and seal. Flush any residue with water.
ITC/USEPA; Information Review #326 (Draft) 2,4,4,4-Tetrachloro-1-butanol (1982)|SRI International; Interim Report (1978) Project No LSC-5096|SRI International; Final Report (1978) Project No LSC-6979
Goggles, impervious gloves, overalls and boots. Use NIOSH/MSHA approved self-contained breathing apparatus where this material is involved in a fire.
OSHA Classification: Class IIIB Combustible liquid
Extinguishing media: carbon dioxide, water, dry chemical, foam.
Skin and eye irritant.
Toxicity
LD50 rats oral 1.1 ml/kg|LD50 rats dermal 1.2 ml/kg|LC50 rabbit inhalation >400 mg/l @ 1 hr exposure
Because of the low octanol water partition coefficient, the bioconcentration factor is expected to be small. It is estimated by the method of Veith to be only 10.
Dermal, oral, inhalation.
Drug Information
Skin exposure: flush with water for 15 minutes, call a physician.|Eye exposure: flush with water for 15 minutes, call a physician.|Ingestion: Do not induce vomiting. Give vegetable oil, milk or egg whites. Call a physician.|Remove victim to fresh air, call a physician.
Symptoms of overexposure include: skin, eye, or mucous membrane irritation and/or burns, depression, prostration, and diarrhea.|No unscheduled DNA synthesis was observed in assays using cultured human cells (WI-38) with TCBA in doses ranging from 18 to 572 ug/ml. Cytotoxicity was observed at the highest concentration.
2,4,4,4-Tetrachloro-1-butanol Use and Manufacturing
TCBA is produced by the free radical addition of carbon tetrachloride to allyl alcohol using an iron catalyst. Some of the patents indicate that there may be substantial amts of by-products and residues.
An "in the pipe" intermediate used to manufacture 4,4,4-trichlorobutyl-1,2-oxide which is then used with glycol and D-glucose to produce a polymer.
(1977) 1 to 10 million lb/yr
1-Butanol, 2,4,4,4-tetrachloro-: INACTIVE|Olin Corp is reported to be the only manufacturer of tetrachlorobutane in the USA. Their production of the compound ceased in May 1982.
Computed Properties
Molecular Weight:211.9
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:211.914325
Monoisotopic Mass:209.917276
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:79.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes