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| CAS No.: | 200295-57-4 |
|---|---|
| Name: | 4-Nitro-1,3-phenylenediamine sulfate |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C6H7N3O2.H2SO4 |
| Molecular Weight: | 251.22 |
| Synonyms: | 4-Nitro-1,3-benzenediamine sulfate (1:1);p-Nitro-m-phenylenediamine sulfate; |
| Boiling Point: | 648.6 °C at 760 mmHg |
| Flash Point: | 346 °C |
| PSA: | 180.84000 |
| LogP: | 2.87280 |
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Specification
The 4-Nitro-1,3-phenylenediamine sulfate, with formula C6H7N3O2.H2SO4, belongs to the categories of intermediates of dyes and pigments. Its cas registry number is 200295-57-4. This chemical also has other names which are known as 4-Nitro-m-phenylenediamine sulfate; 4-Nitro-1,3-benzenediamine sulfate (1:1).
Physical properties about this chemical are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 1 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 3 ; (10)Flash Point: 346 °C; (11)Enthalpy of Vaporization: 100.48 kJ/mol; (12)Boiling Point: 648.6 °C at 760 mmHg; (13)Vapour Pressure: 1.05E-17 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(N)cc1N.OS(O)(=O)=O;
(2)InChI: InChI=1/C6H7N3O2.H2O4S/c7-4-1-2-6(9(10)11)5(8)3-4;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4);
(3)InChIKey: STFQGUXLVLJZDB-UHFFFAOYAF