3-Bromo-4-fluorobenzoic acid
Properties
- Molecular formula
- C7H4BrFO2
- Molar mass
- 219.01 g/mol
- Exact mass
- 217.9379 Da
- Melting point
- 156 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1007-16-5SMILES
O=C(O)c1ccc(F)c(Br)c1InChIKey
ONELILMJNOWXSA-UHFFFAOYSA-NInChI
InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoic acid, 3-bromo-4-fluoro-
Work with 3-Bromo-4-fluorobenzoic acid
Similar compounds
3,4-Difluorobenzoic acid455-86-768 % similar
Bromoterephthalic acid586-35-664 % similar
3-Bromo-4,5-difluorobenzoic acid1244642-73-663 % similar
3-Bromo-4-hydroxybenzoic acid14348-41-562 % similar
3-Amino-4-fluorobenzoic acid2365-85-760 % similar
4-Fluoro-3-methylbenzoic acid403-15-660 % similar
3-Chloro-4-fluorobenzoic acid403-16-760 % similar
4-Amino-3-bromobenzoic acid6311-37-160 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds