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