2-Bromopropionic acid

C₃H₅BrO₂CAS 598-72-1152.97 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₅BrO₂
Molar mass: 152.97 g/mol
Exact mass: 151.9473 Da
Density: 1.7 g/mL (at 20 °C)
Melting point: 24.5 °C
Boiling point: 203 °C
logP: 0.85Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed69.9% of notifiers
H302 Harmful if swallowed30.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage66.3% of notifiers

Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

598-72-1

SMILES

CC(Br)C(=O)O

InChIKey

MONMFXREYOKQTI-UHFFFAOYSA-N

InChI

InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all

Propanoic acid, 2-bromo-
Propionic acid, 2-bromo-
Propionic acid, α-bromo-
2-Bromopropanoic acid
α-Bromopropionic acid
DL-α-Bromopropionic acid
DL-2-Bromopropionic acid
(±)-α-Bromopropanoic acid
(±)-2-Bromopropionic acid
(RS)-α-Bromopropionic acid
(±)-2-Bromopropanoic acid
(RS)-2-Bromopropionic acid
NSC 172
(RS)-2-Bromopropanoic acid

Work with 2-Bromopropionic 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.

(2S)-2-Bromopropanoic acid32644-15-8Defined stereoisomer (R)-(+)-2-Bromopropionic acid10009-70-8Defined stereoisomer

Similar compounds

(2S)-2-Bromo-3-methylbutanoic acid26782-75-252 % similar 2-Bromo-3-methylbutyric acid565-74-252 % similar Methylmalonic acid516-05-250 % similar 2,3-Dibromosuccinic acid526-78-350 % similar 2,3-Dibromobutanoic acid600-30-650 % similar Rel-(2R,3S)-2,3-Dibromobutanedioic acid608-36-650 % similar Isobutyric acid79-31-250 % similar D-Lactic acid10326-41-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromopropionic acid590-92-1 Bromomethyl acetate590-97-6 Methyl 2-bromoacetate96-32-2

Elsewhere

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