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139369-42-9

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Basic Information
CAS No.: 139369-42-9
Name: 1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)-
Article Data: 6
Molecular Structure:
Molecular Structure of 139369-42-9 (1,2-Benzenediamine, 4-chloro-5-(2,3-dichlorophenoxy)-)
Formula: C12H9Cl3N2O
Molecular Weight: 303.575
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
Density: 1.515 g/cm3
Boiling Point: 419.176 °C at 760 mmHg
Flash Point: 207.31 °C
PSA: 61.27000
LogP: 5.76590
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Specification

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