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Basic Information
CAS No.: 68239-82-7
Name: 4-nitrobenzene-1,2-diammonium sulphate
Molecular Structure:
Molecular Structure of 68239-82-7 (4-nitrobenzene-1,2-diammonium sulphate)
Formula: C6H9N3O6S
Molecular Weight: 251.21716
Synonyms: 4-Nitro-o-phenylenediamine Sulfate;4-Nitrobenzene-1,2-diammonium sulphate;4-Nitro-o-phenylenediamine, sulfate;4-NITRO-1,2-BENZENEDIAMINE SULFATE;1,2-Benzenediamine, 4-nitro-, sulfate (1:1);
EINECS: 269-476-7
Boiling Point: 421.1 °C at 760 mmHg
Flash Point: 208.5 °C
PSA: 189.74000
LogP: -0.39240
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Specification

The CAS register number of 4-Nitrobenzene-1,2-diamine; sulfuric acid is 68239-82-7. It also can be called as 4-Nitro-o-phenylenediamine Sulfate and the systematic name about this chemical is 4-nitrobenzene-1,2-diamine sulfate. The molecular formula about this chemical is C6H9N3O6S and the molecular weight is 251.21716.

Physical properties about 4-Nitrobenzene-1,2-diamine; sulfuric acid are: (1)ACD/LogP: 1.21; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 52.3 Å2; (10)Flash Point: 208.5 °C; (11)Enthalpy of Vaporization: 67.51 kJ/mol; (12)Boiling Point: 421.1 °C at 760 mmHg; (13)Vapour Pressure: 2.68E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.[O-][N+](=O)c1cc(N)c(N)cc1
(2)InChI: InChI=1/C6H7N3O2.H2O4S/c7-5-2-1-4(9(10)11)3-6(5)8;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)
(3)InChIKey:JOCYNLSMOXUCGV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H7N3O2.H2O4S/c7-5-2-1-4(9(10)11)3-6(5)8;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)
(5)Std. InChIKey: JOCYNLSMOXUCGV-UHFFFAOYSA-N