Bromochloroacetic acid

C2H2BrClO2CAS 5589-96-8173.39 g/mol

Open in Covalent MOL file
OHOClBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2H2BrClO2
Molar mass
173.39 g/mol
Exact mass
171.8927 Da
Density
1.9848 g/mL (at 31 °C)
Melting point
31.5 °C
Boiling point
215 °C
Flash point
110 °C (closed cup)
logP
1.03Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
5589-96-8
SMILES
O=C(O)C(Cl)Br
InChIKey
GEHJBWKLJVFKPS-UHFFFAOYSA-N
InChI
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)

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Names and synonyms

5 names
  • Acetic acid, 2-bromo-2-chloro-
  • Acetic acid, bromochloro-
  • 2-Bromo-2-chloroacetic acid
  • Chlorobromoacetic acid
  • BCAA

Work with Bromochloroacetic 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

Similar compounds

2,3-Dibromosuccinic acid526-78-350 % similar Rel-(2R,3S)-2,3-Dibromobutanedioic acid608-36-650 % similar Dichloroacetic acid79-43-650 % similar 2,3-Dibromopropionic acid600-05-546 % similar (R)-2-Bromobutanoic acid2681-94-944 % similar 2-Bromobutyric acid80-58-044 % similar (R)-(+)-2-Bromopropionic acid10009-70-844 % similar (S)-(-)-2-Chloropropionic acid29617-66-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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