5-Chloro-2-phenoxybenzenamine

C₁₂H₁₀ClNOCAS 93-67-4219.67 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: 39–41 °C
Boiling point: 190–192 °C (at 8 Torr)
logP: 3.71Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation95.5% of notifiers
H319 Causes serious eye irritation95.5% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

93-67-4

SMILES

Nc1cc(Cl)ccc1Oc1ccccc1

InChIKey

SXEBHIMOUHBBOS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 5-chloro-2-phenoxy-
Aniline, 5-chloro-2-phenoxy-
5-Chloro-2-phenoxyaniline
4-Chloro-2-aminodiphenyl ether
2-Amino-4-chlorodiphenyl ether
NSC 59759
5-Chloro-2-phenoxyphenylamine
1-Amino-5-chloro-2-phenoxybenzene

Work with 5-Chloro-2-phenoxybenzenamine

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

5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-780 % similar 2-Phenoxyaniline2688-84-858 % similar 5-Chloro-2-methoxyaniline95-03-458 % similar 2-(2,4-Dichlorophenoxy)aniline26306-64-957 % similar 2-Methoxy-5-chloroaniline hydrochloride4274-03-753 % similar Chlorophenoxybenzene55398-86-252 % similar 4-Chlorophenyl phenyl ether7005-72-352 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Chlorophenoxy)benzenamine101-79-1 (S)-(4-Chlorophenyl)(pyridin-2-yl)methanol176022-47-2 α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7 2-(4-Chlorophenoxy)benzenamine2770-11-8

Elsewhere

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