4-Bromocinnamic acid
Properties
- Molecular formula
- C9H7BrO2
- Molar mass
- 227.06 g/mol
- Exact mass
- 225.9629 Da
- Melting point
- 257 °C
- logP
- 2.55Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed88.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1200-07-3SMILES
O=C(O)C=Cc1ccc(Br)cc1InChIKey
CPDDDTNAMBSPRN-UHFFFAOYSA-NInChI
InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Propenoic acid, 3-(4-bromophenyl)-
- Cinnamic acid, p-bromo-
- 3-(4-Bromophenyl)-2-propenoic acid
- p-Bromocinnamic acid
- NSC 218449
- 3-(4-Bromophenyl)acrylic acid
Work with 4-Bromocinnamic acid
Similar compounds
p-Phenylenediacrylic acid16323-43-677 % similar
P-Coumaric acid501-98-470 % similar
p-Coumaric acid7400-08-070 % similar
3-(4-Formylphenyl)-2-propenoic acid23359-08-265 % similar
Cinnamic acid140-10-363 % similar
Cinnamic acid621-82-963 % similar
trans-4-Fluorocinnamic acid14290-86-963 % similar
4-Chlorocinnamic acid1615-02-763 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.