Bromoacetic acid
Properties
- Molecular formula
- C2H3BrO2
- Molar mass
- 138.95 g/mol
- Exact mass
- 137.9316 Da
- Melting point
- 50 °C
- Boiling point
- 208 °C
- pKa
- 2.89 (20 °C)
- Flash point
- 113 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.47Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H331 Toxic if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P260, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
79-08-3SMILES
O=C(O)CBrInChIKey
KDPAWGWELVVRCH-UHFFFAOYSA-NInChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Acetic acid, 2-bromo-
- Acetic acid, bromo-
- 2-Bromoacetic acid
- Bromoethanoic acid
- Monobromoacetic acid
- Bromoacetate ion
- To NTu
- α-Bromoacetic acid
- Carboxymethyl bromide
- NSC 141
- 2-Bromoethanoic acid
- MBAA
Work with Bromoacetic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Bromopropionic acid590-92-152 % similar
Succinic acid110-15-650 % similar
Malonic acid141-82-250 % similar
Thioglycolic acid68-11-150 % similar
4-Bromobutanoic acid2623-87-248 % similar
5-Bromopentanoic acid2067-33-646 % similar
Glutaric acid110-94-145 % similar
Adipic acid124-04-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds