2-Chloro-4-fluorobenzenamine

C₆H₅ClFNCAS 2106-02-7145.56 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅ClFN
Molar mass: 145.56 g/mol
Exact mass: 145.0095 Da
Boiling point: 70–71 °C (at 0.25 Torr)
logP: 2.06Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin89.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H335 May cause respiratory irritation89.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

2106-02-7

SMILES

Nc1ccc(F)cc1Cl

InChIKey

XRAKCYJTJGTSMM-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 2-chloro-4-fluoro-
Aniline, 2-chloro-4-fluoro-
2-Chloro-4-fluoroaniline
(2-Chloro-4-fluorophenyl)amine
4-Fluoro-2-chloroaniline

Work with 2-Chloro-4-fluorobenzenamine

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-Chloro-5-fluorobenzenamine452-83-569 % similar 1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 4-Fluoro-1,2-phenylenediamine367-31-760 % similar 3,3′-Dichlorobenzidine91-94-158 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 2,4-Difluoroaniline367-25-956 % similar 2,4-Dichloroaniline554-00-756 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2-fluorobenzenamine2106-04-9 5-Chloro-2-fluoroaniline2106-05-0 2-Chloro-3-fluorobenzenamine21397-08-0 2-Chloro-3-fluoro-5-methylpyridine34552-15-3 2-Chloro-6-fluoroaniline363-51-9 3-Chloro-4-fluoroaniline367-21-5 4-Chloro-3-fluorobenzenamine367-22-6 2-Chloro-3-fluoro-6-methylpyridine374633-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook