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Name |
1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)- |
EINECS | N/A |
CAS No. | 139369-42-9 | Density | 1.515 g/cm3 |
PSA | 61.27000 | LogP | 5.76590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H9Cl3N2O | Boiling Point | 419.176 °C at 760 mmHg |
Molecular Weight | 303.575 | Flash Point | 207.31 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-BENZENEDIAMINE, 4-CHLORO-5-(2,3-DICHLOROPHENOXY)-;4-CHLORO-5-(2,3-DICHLORO-PHENOXY)-1,2-BENZENEDIAMINE;4-Chloro-5-(2,3-dichlorophenoxy)benzene-1,2-diaMine |
Article Data | 6 |
This chemical is called 1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)-, and its systematic name is 4-Chloro-5-(2,3-dichlorophenoxy)benzene-1,2-diamine. With the molecular formula of C12H9Cl3N2O, its molecular weight is 303.57. The CAS registry number of this chemical is 139369-42-9.
Other characteristics of the 1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)- can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 61.27 Å2; (7)Index of Refraction: 1.681; (8)Molar Refractivity: 75.854 cm3; (9)Molar Volume: 200.433 cm3; (10)Polarizability: 30.071×10-24cm3; (11)Surface Tension: 59.929 dyne/cm; (12)Density: 1.515 g/cm3; (13)Flash Point: 207.31 °C; (14)Enthalpy of Vaporization: 67.284 kJ/mol; (15)Boiling Point: 419.176 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Production method of this chemical: The 1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)- could be obtained by the reactant of 6-chloro-5-(2,3-dichloro-phenoxy)-spiro[benzoimidazole-2,1'-cyclohexane]. This reaction needs the reagent of Na2S2O4, and the solvent of aq. ethanol. The yield is 89 %.
Uses of this chemical: The 1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)- could react with carbon disulfide, and obtain the 5-chloro-6-(2,3-dichloro-phenoxy)-1,3-dihydro-benzoimidazole-2-thione. This reaction needs the solvent of dimethylformamide. The yield is 88 %.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2c(Oc1cc(N)c(N)cc1Cl)cccc2Cl
2.InChI: InChI=1/C12H9Cl3N2O/c13-6-2-1-3-10(12(6)15)18-11-5-9(17)8(16)4-7(11)14/h1-5H,16-17H2
3.InChIKey: NNDWEKICDTYSCM-UHFFFAOYAE