CAS No.121-27-7,2-AMINO-4,4'-DICHLORODIPHENYL ETHER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121-27-7
Name:	2-AMINO-4,4'-DICHLORODIPHENYL ETHER
Article Data:	9

Formula:	C₁₂H₉Cl₂NO
Molecular Weight:	254.116
Synonyms:	Aniline,5-chloro-2-(p-chlorophenoxy)- (6CI,7CI,8CI);2-Amino-4,4'-dichlorodiphenylether;4,4'-Dichloro-2-aminodiphenyl ether;5-Chloro-2-(p-chlorophenoxy)aniline;FastRed FR Base;NSC 42129;Red FR Base;2-Amino-4,4-dichloro-diphenyl ether;
EINECS:	204-460-5
Density:	1.364 g/cm³
Melting Point:	51-53°C(lit.)
Boiling Point:	354 °C at 760 mmHg
Flash Point:	167.9 °C
Hazard Symbols:	Xi
PSA:	35.25000
LogP:	4.94910

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Specification

The Benzenamine,5-chloro-2-(4-chlorophenoxy)-, with CAS registry number 121-27-7, belongs to the following product categories: (1)Amines; (2)Phenyls & Phenyl-Het. It has the systematic name of 5-chloro-2-(4-chlorophenoxy)aniline. What's more, its EINECS is 204-460-5.

Physical properties of Benzenamine,5-chloro-2-(4-chlorophenoxy)-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 579.51; (6)ACD/BCF (pH 7.4): 581.29; (7)ACD/KOC (pH 5.5): 3303.85; (8)ACD/KOC (pH 7.4): 3313.98; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 66.72 cm³; (15)Molar Volume: 186.2 cm³; (16)Polarizability: 26.45×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.364 g/cm³; (19)Flash Point: 167.9 °C; (20)Enthalpy of Vaporization: 59.89 kJ/mol; (21)Boiling Point: 354 °C at 760 mmHg; (22)Vapour Pressure: 3.46E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(Oc1ccc(Cl)cc1)cc2)N
(2)InChI: InChI=1/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
(3)InChIKey: WLJSUJOESWTGEX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H,15H2
(5)Std. InChIKey: WLJSUJOESWTGEX-UHFFFAOYSA-N