4-Chloro-2-fluoroaniline

C₆H₅ClFNCAS 57946-56-2145.56 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: 83–85 °C (at 12 Torr)
logP: 2.06Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed95.7% of notifiers
H311 Toxic in contact with skin10.6% of notifiers
H312 Harmful in contact with skin89.4% 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 irritation89.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure12.8% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

57946-56-2

SMILES

Nc1ccc(Cl)cc1F

InChIKey

CSFDTBRRIBJILD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 4-chloro-2-fluoro-
4-Chloro-2-fluorobenzenamine
2-Fluoro-4-chloroaniline
4-Chloro-2-fluorophenylamine

Work with 4-Chloro-2-fluoroaniline

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-Chloro-1,2-difluorobenzene696-02-660 % similar 4-Chloro-1,2-phenylenediamine95-83-060 % similar 2,5-Dichlorofluorobenzene348-59-456 % similar 2,4-Difluoroaniline367-25-956 % similar 2,4-Dichloroaniline554-00-756 % similar 4-Chloro-o-toluidine95-69-254 % similar 4-Chloro-2,6-difluorobenzenamine69411-06-952 % similar 1-Bromo-4-chloro-2-fluorobenzene1996-29-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluorobenzenamine2106-02-7 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook