2-(2,4-Dichlorophenoxy)aniline

C₁₂H₉Cl₂NOCAS 26306-64-9254.11 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₂H₉Cl₂NO
Molar mass: 254.11 g/mol
Exact mass: 253.0061 Da
Boiling point: 133–138 °C (at 0.1 Torr)
logP: 4.37Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

26306-64-9

SMILES

Nc1ccccc1Oc1ccc(Cl)cc1Cl

InChIKey

NXXSJWHUACPWNZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H9Cl2NO/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H,15H2

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

Names and synonyms

6 names

Benzenamine, 2-(2,4-dichlorophenoxy)-
Aniline, o-(2,4-dichlorophenoxy)-
2-(2,4-Dichlorophenoxy)benzenamine
2-Amino-2′,4′-dichlorodiphenyl ether
NSC 89753
2-(2,4-Dichlorophenoxy)phenylamine

Work with 2-(2,4-Dichlorophenoxy)aniline

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-(4-Chlorophenoxy)benzenamine2770-11-860 % similar 5-Chloro-2-phenoxybenzenamine93-67-457 % similar Triclosan3380-34-554 % similar 2,4-Dichloroaniline554-00-752 % similar 2,4-Dichloroanisole553-82-251 % similar 2,5-Dichloroaniline95-82-947 % similar 2-Chloroaniline95-51-247 % similar 2-(o-Tolyloxy)aniline3840-18-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-7 4-(2,4-Dichlorophenoxy)aniline14861-17-7 4-Amino-2,4′-dichlorodiphenyl ether24900-79-6

Elsewhere

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