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4-Nitro-1,3-phenylenediamine sulfate

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Name

4-Nitro-1,3-phenylenediamine sulfate

EINECS N/A
CAS No. 200295-57-4 Density N/A
PSA 180.84000 LogP 2.87280
Solubility N/A Melting Point N/A
Formula C6H7N3O2.H2SO4 Boiling Point 648.6 °C at 760 mmHg
Molecular Weight 251.22 Flash Point 346 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 200295-57-4 (4-Nitro-1,3-phenylenediamine sulfate) Hazard Symbols N/A
Synonyms

4-Nitro-1,3-benzenediamine sulfate (1:1);p-Nitro-m-phenylenediamine sulfate;

Article Data 40

4-Nitro-1,3-phenylenediamine sulfate 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

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