Bromoacetate

HCID 6226CAS 68-10-0

基本情報

標準SMILES
O=C([O-])CBr
InChIKey
KDPAWGWELVVRCH-UHFFFAOYSA-M
分子式
C2H2BrO2-
平均分子量
137.94 g/mol
単同位体質量
136.92436498

概要

Bromoacetate is an organohalogen compound and a carboxylic acid.

名称と識別子

優先名称
Bromoacetate
IUPAC
2-bromoacetate
英語名
bromoacetate
分子量
0

名称と別名

Bromoacetate68-10-0monobromoacetateDTXSID60218189RefChem:121532DTXCID301406802-bromoacetateACETIC ACID, BROMO-, ION(1-)Bromoacetate(1-)alpha-bromoacetateCHEBI:192408KDPAWGWELVVRCH-UHFFFAOYSA-M

データベース識別子

CAS
68-10-0
PubChem CID
6226
DTXSID
DTXSID60218189
ChEBI
CHEBI:192408
Nikkaji
J1.313.419G

物性

構造計算による物性

XLogP
1.2
極性表面積
40.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
5

安全と法規制

毒性情報

Treatment · 1 件

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 件

Bromoacetic acid is a strong lachrymator. Animal studies have also indicated that bromoacetic acid is a teratogen (a developmental toxin) leading to soft tissue malformations in fetuses at doses of 100 mg/kg/day. Bromoacetic acid is also a mutagen and a cytotoxic agent.

Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1 件

Organobromide compounds, especially alkylbromides are strong alkylating agents. Consequently they can randomly modify the surfaces of proteins and lipids, leading to the disruption of enzyme, transporter or membrane functions. One of the most probable protein targets is the TRPA1 ion channel that is expressed in sensory nerves (trigeminal nerve) of the eyes, nose, mouth and lungs. Alkylation of DNA by organobromides may also lead to mutations.

Signs and Symptoms · 1 件

Contact can lead to severe skin and eye burns, it can also irritate the nose throat and lungs if inhaled. Inhalation may result in spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

用途と製造

UsesBromoacetici acid is an industrial and laboratory chemical. It is produced as a drinking water disinfection by-product and small amounts may be found in treated drinking water.

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関連反応

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