3-Chloro-4-(trifluoromethoxy)benzonitrile
Properties
- Molecular formula
- C8H3ClF3NO
- Molar mass
- 221.56 g/mol
- Exact mass
- 220.9855 Da
- logP
- 3.11Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501
Identifiers
CAS number
129604-26-8SMILES
C1=CC(=C(C=C1C#N)Cl)OC(F)(F)FInChIKey
ITKCOGUNHYXLND-UHFFFAOYSA-NInChI
InChI=1S/C8H3ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Chloro-4-(trifluoromethoxy)benzonitrile
Similar compounds
2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile175278-16-762 % similar
3-Chloro-4-methoxybenzonitrile102151-33-759 % similar
4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-659 % similar
2-(Trifluoromethoxy)chlorobenzene450-96-459 % similar
1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-458 % similar
3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-155 % similar
3-(Trifluoromethoxy)benzonitrile52771-22-955 % similar
3-Chloro-4-(trifluoromethoxy)aniline64628-73-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.