4-Chloro-N-phenylaniline

C₁₂H₁₀ClNCAS 1205-71-6203.67 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₀ClN
Molar mass: 203.67 g/mol
Exact mass: 203.0502 Da
logP: 4.08Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled100% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1205-71-6

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)Cl

InChIKey

VPRIGCVCJPKVFZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10ClN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

Weigh it out

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

Names and synonyms

1 names

4-Chlorodiphenylamine

Work with 4-Chloro-N-phenylaniline

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

N,N′-Diphenyl-p-phenylenediamine74-31-768 % similar Diphenylamine122-39-463 % similar N,N′-Diphenylbenzidine531-91-959 % similar N-Phenyl-4-biphenylamine32228-99-257 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-757 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-055 % similar Chlorobenzene108-90-755 % similar Diphenylamine hydrochloride537-67-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorodiphenylamine101-17-7 2-Amino-4'-chlorobiphenyl1204-44-0 4-Amino-4'-chlorodiphenyl135-68-2 2-(4'-Chlorobenzyl)pyridine4350-41-8

Elsewhere

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