3-Chloro-4-(trifluoromethoxy)aniline
Properties
- Molecular formula
- C7H5ClF3NO
- Molar mass
- 211.57 g/mol
- Exact mass
- 211.0012 Da
- logP
- 2.82Crippen estimate
- Polar surface area
- 35.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H311 Toxic in contact with skin12.5% of notifiers
- H315 Causes skin irritation75% of notifiers
- H317 May cause an allergic skin reaction12.5% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H331 Toxic if inhaled12.5% of notifiers
- H335 May cause respiratory irritation62.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
64628-73-5SMILES
C1=CC(=C(C=C1N)Cl)OC(F)(F)FInChIKey
ZPKUUNGPBSRPRM-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClF3NO/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-Chloro-4-(trifluoromethoxy)aniline
Similar compounds
3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-964 % similar
1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-464 % similar
3-Bromo-4-(trifluoromethoxy)aniline191602-54-760 % similar
2-(Trifluoromethoxy)chlorobenzene450-96-459 % similar
3-Chloro-4-methoxyaniline5345-54-056 % similar
3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-855 % similar
4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-255 % similar
3-(Trifluoromethoxy)aniline1535-73-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.