2-Chloro-3-fluorobenzenamine

C₆H₅ClFNCAS 21397-08-0145.56 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
logP: 2.06Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid20% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, 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, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

21397-08-0

SMILES

Nc1cccc(F)c1Cl

InChIKey

FJKIADFDXOCBRV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 2-chloro-3-fluoro-
Aniline, 2-chloro-3-fluoro-
2-Chloro-3-fluoroaniline

Work with 2-Chloro-3-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

1-Chloro-2,6-difluorobenzene38361-37-464 % similar 2-Fluoroaniline348-54-958 % similar 2,3-Difluoroaniline4519-40-858 % similar 3-Fluoro-2-methylaniline443-86-756 % similar 1,2-Dichloro-3-fluorobenzene36556-50-054 % similar 2,3-Dichloroaniline608-27-554 % similar 2-Bromo-3-fluoroaniline111721-75-654 % similar 2-Amino-6-fluorophenol53981-25-254 % 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-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