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2,4,4,4-テトラクロロ-1-ブタノール

2,4,4,4-Tetrachloro-1-butanol

HCID 18688
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
3290-70-8
標準SMILES
OCC(Cl)CC(Cl)(Cl)Cl
InChIKey
PHPDBVLDVIRSHU-UHFFFAOYSA-N
分子式
C4H6Cl4O
平均分子量
211.9 g/mol
単同位体質量
209.917276

名称と識別子

優先名称
2,4,4,4-Tetrachloro-1-butanol
IUPAC
2,4,4,4-tetrachlorobutan-1-ol
現地名
2,4,4,4-テトラクロロ-1-ブタノール
英語名
2,4,4,4-tetrachlorobutan-1-ol
分子式
C4H6Cl4O
分子量
211.9

名称と別名

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
名称をさらに表示
2,4,4,4-テトラクロロ-1-ブタノール
2,4,4,4TetrachlorobutanolButanol, 2,4,4,4tetrachloroDTXCID10305771Butanol, 2,4,4,4tetrachloro3290-70-8SCHEMBL6236212SCHEMBL10912484NS00029379

データベース識別子

CAS
3290-70-8
PubChem CID
18688
DTXSID
DTXSID8052013
UNII
D4778G8CNQ
EC Number
221-949-9
Nikkaji
J262.393E

物性

構造計算による物性

XLogP
2.4
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
9
形式電荷
0
複雑度
79.1

実験および物理化学的性質

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

物理化学的性質

沸点
247 °C · 247 °C
比重(密度)
1.51 g/cm3 · 1.51 g/cm3
酸解離定数(Pka)
13.81 · 13.81±0.10(Predicted)
EPAの化学物質情報
1 · 1-Butanol, 2,4,4,4-tetrachloro- (3290-70-8)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Fire PotentialOSHA Classification: Class IIIB Combustible liquid
Hazards Summary · 1 件

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 · 3 件

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.

安全と保護具

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.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

化学と産業

用途と製造

Uses · 3 件

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 · 2 件

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.

サプライヤー1 社

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

関連反応

1 件
反応記録を作成
HRID 436247 の反応式
HRID 436247反応物としてuspto-grants-1977_02

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
Human Toxicity Excerpts · 2 件

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 · 5 件

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 · 4 件

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 · 3 件

LD50 rats oral 1.1 ml/kg

LD50 rats dermal 1.2 ml/kg

LC50 rabbit inhalation >400 mg/l @ 1 hr exposure

安全データ

tsca
TSCA listed
有毒物質データの
3290-70-8(Hazardous Substances Data)