4-Amino-3-(trifluoromethoxy)benzoic acid
Properties
- Molecular formula
- C8H6F3NO3
- Molar mass
- 221.14 g/mol
- Exact mass
- 221.0300 Da
- logP
- 1.87Crippen estimate
- Polar surface area
- 72.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 9 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
175278-22-5SMILES
Nc1ccc(C(=O)O)cc1OC(F)(F)FInChIKey
IXJFWBNYFTWBOR-UHFFFAOYSA-NInChI
InChI=1S/C8H6F3NO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,12H2,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 4-amino-3-(trifluoromethoxy)-
- 4-Amino-3-trifluoromethoxybenzoic acid
Work with 4-Amino-3-(trifluoromethoxy)benzoic acid
Similar compounds
2-(Trifluoromethoxy)terephthalic acid175278-21-469 % similar
4-Chloro-3-(trifluoromethoxy)benzoic acid886500-50-166 % similar
4-Amino-3-methoxybenzoic acid2486-69-364 % similar
3-Chloro-4-(trifluoromethoxy)benzoic acid158580-93-962 % similar
4-Amino-3-(trifluoromethyl)benzoic acid400-76-059 % similar
2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-257 % similar
3,4-Diaminobenzoic acid619-05-657 % similar
4-(Trifluoromethoxy)benzoic acid330-12-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.