2-Nitro-4-trifluoromethylbenzoic acid
Properties
- Molecular formula
- C8H4F3NO4
- Molar mass
- 235.12 g/mol
- Exact mass
- 235.0092 Da
- logP
- 2.31Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation95.9% of notifiers
Aggregated from 49 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
320-94-5SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)OInChIKey
MYSAXQPTXWKDPQ-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Nitro-4-(trifluoromethyl)benzoic acid
Work with 2-Nitro-4-trifluoromethylbenzoic acid
Similar compounds
4-Fluoro-2-nitrobenzoic acid394-01-466 % similar
Nitroterephthalic acid610-29-763 % similar
2,4-Dinitrobenzoic acid610-30-063 % similar
Methyl 2-nitro-4-(trifluoromethyl)benzoate228418-45-963 % similar
4-(Trifluoromethyl)phthalic acid835-58-562 % similar
4-Amino-2-nitrobenzoic acid610-36-660 % similar
4-Chloro-2-nitrobenzoic acid6280-88-260 % similar
4-Bromo-2-nitrobenzoic acid99277-71-160 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds