2-Chloro-4-(trifluoromethoxy)aniline

C7H5ClF3NOCAS 69695-61-0211.57 g/mol

Open in Covalent MOL file
OFFFClNH2
Alkyl halideAryl halideEtherPrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, P501

Identifiers

CAS number
69695-61-0
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Cl)N
InChIKey
YMLWONHDNGICOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2

Weigh it out

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

Work with 2-Chloro-4-(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

2,6-Dichloro-4-(trifluoromethoxy)benzenamine99479-66-061 % similar 2-Bromo-4-(trifluoromethoxy)aniline175278-17-860 % similar 2-Methyl-4-(trifluoromethoxy)aniline86256-59-960 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-457 % similar 2-Bromo-5-(trifluoromethoxy)aniline887267-47-256 % similar 3-(Trifluoromethoxy)aniline1535-73-551 % similar 2-Chloro-4-trifluoromethylaniline39885-50-251 % similar 2-Chloro-5-(trifluoromethoxy)phenylboronic acid1022922-16-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-1 4-Chloro-2-(trifluoromethoxy)aniline175205-77-3 3-Chloro-4-(trifluoromethoxy)aniline64628-73-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook