3-Chloro-2-fluorobenzenamine

C₆H₅ClFNCAS 2106-04-9145.56 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

Danger

H302 Harmful if swallowed96.2% of notifiers
H315 Causes skin irritation92.3% of notifiers
H318 Causes serious eye damage80.8% of notifiers
H319 Causes serious eye irritation11.5% of notifiers
H332 Harmful if inhaled15.4% of notifiers
H335 May cause respiratory irritation82.7% of notifiers

Aggregated from 52 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2106-04-9

SMILES

Nc1cccc(Cl)c1F

InChIKey

XWBTZHDDWRNOQH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 3-chloro-2-fluoro-
Aniline, 3-chloro-2-fluoro-
3-Chloro-2-fluoroaniline
2-Fluoro-3-chloroaniline
(3-Chloro-2-fluorophenyl)amine

Work with 3-Chloro-2-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

1,3-Dichloro-2-fluorobenzene2268-05-564 % similar 2-Chloroaniline95-51-258 % similar 2,3-Difluoroaniline4519-40-858 % similar 3-Bromo-2-fluorobenzenamine58534-95-556 % similar 2,3-Dichloroaniline608-27-554 % similar 2-Fluoro-3-methylaniline1978-33-254 % similar o-Chloroaniline hydrochloride137-04-252 % similar 1-Bromo-3-chloro-2-fluorobenzene144584-65-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluorobenzenamine2106-02-7 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

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