4-Chloro-2-(trifluoromethoxy)aniline

C₇H₅ClF₃NOCAS 175205-77-3211.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₅ClF₃NO
Molar mass: 211.57 g/mol
Exact mass: 211.0012 Da
logP: 2.82Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful 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 irritation50% 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175205-77-3

SMILES

Nc1ccc(Cl)cc1OC(F)(F)F

InChIKey

UCFTYLMKCJPWBX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3NO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

4-Chloro-2-(trifluoromethoxy)benzenamine
Benzenamine, 4-chloro-2-(trifluoromethoxy)-
4-Chloro-2-trifluoromethoxyaniline
4-Chloro-2-(trifluoromethoxy)phenylamine
2-Trifluoromethoxy-4-chloroaniline

Work with 4-Chloro-2-(trifluoromethoxy)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-2-(trifluoromethoxy)aniline175278-09-860 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-459 % similar 4-Chloro-2-methoxybenzenamine93-50-558 % similar 4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-655 % similar 2-Trifluoromethoxyaniline1535-75-755 % similar 2-Trifluoromethyl-4-chloroaniline445-03-451 % similar 4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-551 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-1 3-Chloro-4-(trifluoromethoxy)aniline64628-73-5 2-Chloro-4-(trifluoromethoxy)aniline69695-61-0

Elsewhere

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