3-Fluoro-4-(trifluoromethoxy)aniline
Properties
- Molecular formula
- C7H5F4NO
- Molar mass
- 195.12 g/mol
- Exact mass
- 195.0307 Da
- logP
- 2.31Crippen estimate
- Polar surface area
- 35.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
- H302+H332 Harmful if swallowed or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1017779-69-9SMILES
C1=CC(=C(C=C1N)F)OC(F)(F)FInChIKey
NDCPAIUBKAIJTK-UHFFFAOYSA-NInChI
InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Fluoro-4-(trifluoromethoxy)aniline
Similar compounds
3-Bromo-4-(trifluoromethoxy)aniline191602-54-764 % similar
3-Chloro-4-(trifluoromethoxy)aniline64628-73-564 % similar
3-Fluoro-4-(trifluoromethoxy)phenol177596-38-259 % similar
3-Fluoro-4-methoxyaniline366-99-459 % similar
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-658 % similar
3-Nitro-4-(trifluoromethoxy)aniline2822-50-654 % similar
3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-653 % similar
3,4-Difluoroaniline3863-11-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.