3-Bromopropionic acid

C₃H₅BrO₂CAS 590-92-1152.98 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₅BrO₂
Molar mass: 152.98 g/mol
Exact mass: 151.9473 Da
Density: 1.48 g/mL
Melting point: 62.5 °C
Boiling point: 140–142 °C (at 45 Torr)
logP: 0.86Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed16.4% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

590-92-1

SMILES

O=C(O)CCBr

InChIKey

DHXNZYCXMFBMHE-UHFFFAOYSA-N

InChI

InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

Weigh it out

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

Names and synonyms

8 names

Propanoic acid, 3-bromo-
Propionic acid, 3-bromo-
Propionic acid, β-bromo-
3-Bromopropanoic acid
β-Bromopropionic acid
2-Carboxyethyl bromide
β-Bromopropanoic acid
NSC 2638

Reactions

β-BROMOPROPIONIC ACID (Propionic acid, β-bromo-)product

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromobutanoic acid2623-87-271 % similar 5-Bromopentanoic acid2067-33-668 % similar 17-Bromoheptadecanoic acid13099-35-965 % similar 8-Bromooctanoic acid17696-11-665 % similar 16-Bromohexadecanoic acid2536-35-865 % similar 11-Bromoundecanoic acid2834-05-165 % similar 7-Bromoheptanoic acid30515-28-765 % similar 9-Bromononanoic acid41059-02-365 % similar

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

Same formula

(R)-(+)-2-Bromopropionic acid10009-70-8 (2S)-2-Bromopropanoic acid32644-15-8 Bromomethyl acetate590-97-6 2-Bromopropionic acid598-72-1 Methyl 2-bromoacetate96-32-2

Elsewhere

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