2,3,4-Trifluorobenzoic acid
Properties
- Molecular formula
- C7H3F3O2
- Molar mass
- 176.09 g/mol
- Exact mass
- 176.0085 Da
- Melting point
- 141 °C
- logP
- 1.80Crippen 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 irritation98.1% of notifiers
Aggregated from 52 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
61079-72-9SMILES
O=C(O)c1ccc(F)c(F)c1FInChIKey
WEPXLRANFJEOFZ-UHFFFAOYSA-NInChI
InChI=1S/C7H3F3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 2,3,4-trifluoro-
- NSC 190684
Work with 2,3,4-Trifluorobenzoic acid
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.
Similar compounds
3,4-Difluoro-2-hydroxybenzoic acid189283-51-071 % similar
2,3-Difluorobenzoic acid4519-39-570 % similar
2,4-Difluoro-3-methylbenzoic acid112857-68-869 % similar
3-Chloro-2,4-difluorobenzoic acid154257-75-769 % similar
3,4-Difluoro-2-methylbenzoic acid157652-31-869 % similar
2-Bromo-3,4-difluorobenzoic acid170108-05-169 % similar
2,3,4,5-Tetrafluorobenzoic acid1201-31-667 % similar
2,3-Difluoro-4-hydroxybenzoic acid175968-39-565 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.