4-Nitro-2-(trifluoromethyl)benzoic acid
Properties
- Molecular formula
- C8H4F3NO4
- Molar mass
- 235.12 g/mol
- Exact mass
- 235.0092 Da
- Melting point
- 137–140 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed93.2% of notifiers
- H315 Causes skin irritation11.4% of notifiers
- H317 May cause an allergic skin reaction93.2% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
320-37-6SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1C(F)(F)FInChIKey
BPCKZQCTLCTDST-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 4-nitro-2-(trifluoromethyl)-
- o-Toluic acid, α,α,α-trifluoro-4-nitro-
- 4-Nitro-2-trifluoromethylbenzoic acid
Work with 4-Nitro-2-(trifluoromethyl)benzoic acid
Similar compounds
4-Nitrophthalic acid610-27-567 % similar
2-Fluoro-4-nitrobenzoic acid403-24-764 % similar
2,4-Dinitrobenzoic acid610-30-063 % similar
2-Amino-4-nitrobenzoic acid619-17-062 % similar
2-Hydroxy-4-nitrobenzoic acid619-19-262 % similar
4,4'-Dinitrodiphenic acid20246-81-561 % similar
2-Bromo-4-nitrobenzoic acid16426-64-560 % similar
2-Methyl-4-nitrobenzoic acid1975-51-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds