기본 정보
- CAS
3290-70-8- 표준 SMILES
OCC(Cl)CC(Cl)(Cl)Cl- InChIKey
PHPDBVLDVIRSHU-UHFFFAOYSA-N- 분자식
- C4H6Cl4O
- 평균 분자량
- 211.9 g/mol
- 단동위원소 질량
- 209.917276
이름 및 식별자
- 우선 이름
- 2,4,4,4-Tetrachloro-1-butanol
- IUPAC
- 2,4,4,4-tetrachlorobutan-1-ol
- 현지명
- 2,4,4,4-테트라클로로부탄-1-올
- 영어명
- 2,4,4,4-tetrachlorobutan-1-ol
- 분자식
- C4H6Cl4O
- 분자량
- 211.9
이름 및 동의어
2,4,4,4-Tetrachlorobutan-1-ol2,4,4,4-Tetrachlorobutanol2,4,4,4-TETRACHLORO-1-BUTANOL1-Butanol, 2,4,4,4-tetrachloro-Butanol, 2,4,4,4-tetrachloro-UNII-D4778G8CNQD4778G8CNQHSDB 6144EINECS 221-949-9DTXSID80520132,4,4,4-TETRACHLORO-1-BUTANOL [HSDB]RefChem:81975
이름 더 보기
2,4,4,4-테트라클로로부탄-1-올
2,4,4,4TetrachlorobutanolButanol, 2,4,4,4tetrachloroDTXCID10305771Butanol, 2,4,4,4tetrachloro3290-70-8SCHEMBL6236212SCHEMBL10912484NS00029379
데이터베이스 식별자
- CAS
3290-70-8- PubChem CID
- 18688
- DTXSID
DTXSID8052013- UNII
- D4778G8CNQ
- EC Number
- 221-949-9
- Nikkaji
- J262.393E
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 79.1
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Alcohols
Density1.51
Color/FormAmber liquid
Boiling Point247 °C.
PolymerizationWill not occur.
Vapor Pressure0.0031 [mmHg]
Physical DescriptionAmber liquid; [HSDB]
Stability/Shelf LifeStable
물리화학적 성질
- 끓는 점
- 247 °C · 247 °C
- 밀도
- 1.51 g/cm3 · 1.51 g/cm3
- 산도 계수 (pKa)
- 13.81 · 13.81±0.10(Predicted)
- EPA
- 1 · 1-Butanol, 2,4,4,4-tetrachloro- (3290-70-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Fire PotentialOSHA Classification: Class IIIB Combustible liquid
Hazards Summary
May cause irritation or burns to skin, eyes, and mucous membranes; Highly irritating or corrosive to the skin and eyes or rabbits; No observations of embryotoxicity or teratogenicity at doses maternally toxic in rats; No evidence of mutagenicity; LD50 (rat) = 1.1 mL/kg (oral) and 1.2mL/kg (dermal); [HSDB]
Special Reports
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
Skin, Eye, and Respiratory IrritationsSkin and eye irritant.
안전 및 보호
Fire Fighting ProceduresExtinguishing media: carbon dioxide, water, dry chemical, foam.
Storage ConditionsStore closed containers in a well ventilated area.
Disposal MethodsAdd dry absorbent and shovel or sweep up and place in an approved DOT container and seal. Flush any residue with water.
Personal Protective Equipment (PPE)Goggles, impervious gloves, overalls and boots. Use NIOSH/MSHA approved self-contained breathing apparatus where this material is involved in a fire.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
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.
Environmental BioconcentrationBecause 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.
Non-Human Toxicity Excerpts
TCBA was not found to be mutagenic in the standard Ames Salmonella/microsome assay using 4 strains of the bacterium Salmonella typhimurium (TA1535, TA1537, TA1538, & TA100) with doses of TCBA ranging from 10 ug/plate to 5000 ug/plate. TCBA was toxic at 5000 ug/plate. When the assay was conducted in dessicators, TCBA was toxic at dose levels greater than 50 ug/plate, but was not mutagenic. The compound was toxic at concentration levels greater than 0.1% when tested with the yeast Saccharomyces cerevisiae D3, but was not mutagenic.
The teratogenic potential of TCBA was evaluated in pregnant Charles River CD rats receiving oral doses of 40, 120, 360, and 720 mg/kg/day on days 6 through 15 of gestation. TCBA exhibited maternal toxicity at high dose levels without evidence of fetotoxicity or teratogenicity.
TCBA produced severe erythema and moderate edema to both intact and abraded skin sites on albino rabbits, and, as tested, is a corrosive substance to the skin requiring cautionary labeling in accordance with 26 FR 7336 No.155 (8/12/61).
In a study using New Zealand white rabbits, 2/6 rabbits showed epidermal destruction at 48 hr when 0.5 ml was placed directly on the test site and occluded for 4 hours.
From tests with albino rabbits, TCBA is known to be a severe ocular irritant, causing corneal, iridial, and conjunctival effects. Washing the eyes after a two sec exposure is beneficial in alleviating the ocular signs of injury.
Probable Routes of Human ExposureDermal, oral, inhalation.
Antidote and Emergency Treatment
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.
Toxicity DataLC50 (rabbit) > 400,000 mg/m3/1h
Non-Human Toxicity Values
LD50 rats oral 1.1 ml/kg
LD50 rats dermal 1.2 ml/kg
LC50 rabbit inhalation >400 mg/l @ 1 hr exposure
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 3290-70-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as a chemical intermediate; [HSDB]
Only known US manufacturer stopped production in 1982; [HSDB]
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.
U.S. Production(1977) 1 to 10 million lb/yr
Methods of ManufacturingTCBA 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.
General Manufacturing Information
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.
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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