Bromoacetate

HCID 6226

Basic information

CAS
68-10-0
Standard SMILES
O=C([O-])CBr
InChIKey
KDPAWGWELVVRCH-UHFFFAOYSA-M
Molecular formula
C2H2BrO2-
Average molar mass
137.94 g/mol
Monoisotopic mass
136.92436498

Overview

Bromoacetate is an organohalogen compound and a carboxylic acid.

Names & identifiers

Preferred name
Bromoacetate
IUPAC
2-bromoacetate
English name
bromoacetate
Molecular weight
0

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Safety & regulation

Toxicology

Treatment · 1 item

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 item

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 item

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 item

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).

Chemistry & industry

Uses & manufacturing

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.

Suppliers1 total

陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

Additional notes

DefinitionChEBI: Bromoacetate is an organohalogen compound and a carboxylic acid.

Related reactions

24 records

Compound notes

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