2-(Bromomethyl)acrylic acid

C4H5BrO2CAS 72707-66-5164.99 g/mol

Open in Covalent MOL file
BrOOH
AlkeneAlkyl halideCarboxylic acid

Properties

Molecular formula
C4H5BrO2
Molar mass
164.99 g/mol
Exact mass
163.9473 Da
Melting point
74–75 °C
logP
1.02Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 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
72707-66-5
SMILES
C=C(CBr)C(=O)O
InChIKey
NOOYFQLPKUQDNE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)

Weigh it out

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Names and synonyms

6 names
  • 2-Propenoic acid, 2-(bromomethyl)-
  • 2-(Bromomethyl)-2-propenoic acid
  • α-(Bromomethyl)acrylic acid
  • α-Bromomethacrylic acid
  • 2-(Bromomethyl)propenoic acid
  • Bromomethylacrylic acid

Work with 2-(Bromomethyl)acrylic 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

Bromopyruvic acid1113-59-352 % similar Itaconic acid97-65-452 % similar 2-Decyl acrylic Acid52756-21-545 % similar 2-Benzylacrylic acid5669-19-244 % similar 2-Benzylacrylic acid62479-28-144 % similar Methyl 2-(bromomethyl)-2-propenoate4224-69-543 % similar 2-Bromoacrylic acid10443-65-942 % similar 2-(Bromomethyl)acrylic acid ethyl ester17435-72-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromocrotonic acid13991-36-1 2-Bromo-4-butyrolactone5061-21-2

Elsewhere

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