4-Chloro-2,6-difluorobenzenamine

C₆H₄ClF₂NCAS 69411-06-9163.55 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄ClF₂N
Molar mass: 163.55 g/mol
Exact mass: 163.0000 Da
logP: 2.20Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin80% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation20% of notifiers

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

Precautionary statements

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

69411-06-9

SMILES

Nc1c(F)cc(Cl)cc1F

InChIKey

AKDPHEYBBWDWCM-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

Weigh it out

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

Names and synonyms

2 names

Benzenamine, 4-chloro-2,6-difluoro-
4-Chloro-2,6-difluoroaniline

Work with 4-Chloro-2,6-difluorobenzenamine

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-Bromo-4-chloro-6-fluorobenzenamine195191-47-069 % similar 4-Chloro-2-fluoro-6-iodoaniline216393-67-869 % similar 2,4,6-Trifluorobenzenamine363-81-557 % similar 2,6-Difluoroaniline5509-65-952 % similar 2,6-Difluoro-4-iodoaniline141743-49-952 % similar 4-Chloro-2,6-difluorophenol164790-68-552 % similar 4-Bromo-2,6-difluoroaniline67567-26-452 % similar 4-Chloro-2-fluoroaniline57946-56-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,5-difluoroaniline2613-32-3 2-Chloro-4,6-difluoroaniline36556-56-6 2-Chloro-3,5-difluoroaniline36556-60-2

Elsewhere

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