2-Amino-4'-chlorobiphenyl

C₁₂H₁₀ClNCAS 1204-44-0203.67 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₁₀ClN
Molar mass: 203.67 g/mol
Exact mass: 203.0502 Da
Melting point: 71 °C
logP: 3.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1204-44-0

SMILES

Nc1ccccc1-c1ccc(Cl)cc1

InChIKey

JPBWZIPCMDZOPM-UHFFFAOYSA-N

InChI

InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2

Weigh it out

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

Names and synonyms

7 names

4′-Chloro[1,1′-biphenyl]-2-amine
[1,1′-Biphenyl]-2-amine, 4′-chloro-
2-Biphenylamine, 4′-chloro-
2-Amino-4′-chlorobiphenyl
NSC 95712
4′-Chlorobiphenyl-2-ylamine
2-(4-Chlorophenyl)aniline

Work with 2-Amino-4'-chlorobiphenyl

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-Aminobiphenyl90-41-564 % similar 2-Bromo-4'-chloro-1,1'-biphenyl179526-95-555 % similar 4-Chlorobiphenyl2051-62-950 % similar 2-(4-Chlorophenoxy)benzenamine2770-11-848 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-148 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-048 % similar 4,4′-Dichlorobiphenyl2050-68-246 % similar 9-(4'-Chloro-[1,1'-biphenyl]-2-yl)-9H-carbazole2098811-14-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorodiphenylamine101-17-7 4-Chloro-N-phenylaniline1205-71-6 4-Amino-4'-chlorodiphenyl135-68-2 2-(4'-Chlorobenzyl)pyridine4350-41-8

Elsewhere

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