4-(4-Chlorophenoxy)benzenamine

C₁₂H₁₀ClNOCAS 101-79-1219.67 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₂H₁₀ClNO
Molar mass: 219.67 g/mol
Exact mass: 219.0451 Da
Melting point: 100 °C
logP: 3.71Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed94.7% of notifiers
H315 Causes skin irritation98.7% of notifiers
H317 May cause an allergic skin reaction93.3% of notifiers
H318 Causes serious eye damage93.3% of notifiers
H335 May cause respiratory irritation98.7% of notifiers

Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101-79-1

SMILES

Nc1ccc(Oc2ccc(Cl)cc2)cc1

InChIKey

YTISFYMPVILQRL-UHFFFAOYSA-N

InChI

InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 4-(4-chlorophenoxy)-
Aniline, p-(p-chlorophenoxy)-
p-(p-Chlorophenoxy)aniline
4-Amino-4′-chlorodiphenyl ether
4-Chloro-4′-aminodiphenyl ether
4-(4-Chlorophenoxy)aniline
NSC 75571
[4-(4-Chlorophenoxy)phenyl]amine

Work with 4-(4-Chlorophenoxy)benzenamine

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

4,4′-Diaminodiphenyl ether101-80-471 % similar 4-Chloroaniline106-47-871 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-171 % similar 4-Amino-2,4′-dichlorodiphenyl ether24900-79-667 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-763 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-663 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-863 % similar 4-Amino-4'-chlorodiphenyl135-68-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-(4-Chlorophenyl)(pyridin-2-yl)methanol176022-47-2 α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7 2-(4-Chlorophenoxy)benzenamine2770-11-8 5-Chloro-2-phenoxybenzenamine93-67-4

Elsewhere

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