3-Nitro-5-(trifluoromethyl)benzoic acid
Properties
- Molecular formula
- C8H4F3NO4
- Molar mass
- 235.12 g/mol
- Exact mass
- 235.0092 Da
- Melting point
- 127–129 °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 swallowed80.9% of notifiers
- H315 Causes skin irritation19.1% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation17% of notifiers
Aggregated from 47 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
328-80-3SMILES
O=C(O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1InChIKey
ODCLHXGXGFBBTA-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)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
3 names
- Benzoic acid, 3-nitro-5-(trifluoromethyl)-
- m-Toluic acid, α,α,α-trifluoro-5-nitro-
- 5-Trifluoromethyl-3-nitrobenzoic acid
Work with 3-Nitro-5-(trifluoromethyl)benzoic acid
Similar compounds
5-Nitroisophthalic acid618-88-271 % similar
3,5-Dinitrobenzoic acid99-34-371 % similar
1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-666 % similar
Alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene401-99-066 % similar
3,5-Bis(trifluoromethyl)benzoic acid725-89-366 % similar
3-Fluoro-5-nitrobenzoic acid14027-75-965 % similar
3-Bromo-5-nitrobenzoic acid6307-83-163 % similar
3-Amino-5-nitrobenzoic acid618-84-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds