4-(2,4-Dichlorophenoxy)benzenamine

HCID 26940CAS 14861-17-7

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Basic information

Standard SMILES: Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIKey: RWDOREOERSVIRK-UHFFFAOYSA-N
Molecular formula: C12H9Cl2NO
Average molar mass: 254.11 g/mol
Monoisotopic mass: 253.00611927

Names & identifiers

Preferred name: 4-(2,4-Dichlorophenoxy)benzenamine
IUPAC: 4-(2,4-dichlorophenoxy)aniline
English name: 2,4-Dichloro-4'-aminodiphenyl ether
Molecular formula: C12H9Cl2NO
Molecular weight: 254.11

Names & synonyms

4-(2,4-Dichlorophenoxy)aniline14861-17-74-(2,4-Dichlorophenoxy)benzenamineBenzenamine, 4-(2,4-dichlorophenoxy)-R41F3KF27MDTXSID3065825RefChem:510714DTXCID8034823238-932-7Aminonitrofen4-Amino-2',4'-dichlorodiphenyl ether2,4-Dichloro-4'-aminodiphenyl ether

Show more names

AMINOFENp-(2,4-Dichlorophenoxy)anilinep-(2,4-dichlorophenoxy)-anilin4-(2,4-dichlorophenoxy)-benzenamin2’,4’-dichloro-4-aminobiphenylether2,4-DICHLORO-4'-AMINODIPHENYL ESTER

Amino-nitrofenCCRIS 80052,4-Dichlorophenyl p-aminophenyl etherEINECS 238-932-72',4'-Dichloro-4-aminobiphenyl ether2,4-Dichloro-1-(4-aminophenoxy)benzeneMFCD00459612ANILINE, p-(2,4-DICHLOROPHENOXY)-

Database identifiers

CAS: 14861-17-7
PubChem CID: 26940
DTXSID: DTXSID3065825
UNII: R41F3KF27M
EC Number: 238-932-7
Nikkaji: J60.405D

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 219

Physicochemical properties

Boiling point: 359.8 · 359.8±37.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.54 · 4.54±0.10(Predicted)
CAS DataBase Reference: 14861 · 14861-17-7(CAS DataBase Reference)
FDA UNII: 41 F3KF27M · R41F3KF27M
EPA Substance Registry System: 4 · Benzenamine, 4-(2,4-dichlorophenoxy)- (14861-17-7)
Hazard Codes: Xn
Risk Statements: 22 · 22
TSCA: TSCA listed