4-Amino-3-(trifluoromethoxy)benzonitrile
Properties
- Molecular formula
- C8H5F3N2O
- Molar mass
- 202.14 g/mol
- Exact mass
- 202.0354 Da
- logP
- 2.04Crippen estimate
- Polar surface area
- 59.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
175278-23-6SMILES
N#Cc1ccc(N)c(OC(F)(F)F)c1InChIKey
QNJPSMLILRHZOW-UHFFFAOYSA-NInChI
InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-3H,13H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzonitrile, 4-amino-3-(trifluoromethoxy)-
- 4-Amino-3-[(trifluoromethyl)oxy]benzonitrile
Work with 4-Amino-3-(trifluoromethoxy)benzonitrile
Similar compounds
2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile175278-16-767 % similar
3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-859 % similar
4-Chloro-2-(trifluoromethoxy)aniline175205-77-355 % similar
4-Bromo-2-(trifluoromethoxy)aniline175278-09-855 % similar
2-Amino-5-cyanobenzotrifluoride327-74-255 % similar
2-Trifluoromethoxyaniline1535-75-754 % similar
3,4-Diaminobenzonitrile17626-40-353 % similar
4-(Trifluoromethoxy)benzonitrile332-25-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.