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Benzidine sulphate (21136-70-9)

Name:Benzidine sulphate
Synonyms:Benzidine sulfate;4,4'-Diaminobiphenyl sulphate;4,4'-Diaminodiphenylene sulfate;
EINECS: 244-236-4
Molecular Formula: C12H12N2.H2SO4
Molecular Weight: 282.32
InChI: InChI=1/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)
Molecular Structure: (C12H12N2.H2SO4) Benzidine sulfate;4,4'-Diaminobiphenyl sulphate;4,4'-Diaminodiphenylene sulfate;
Melting Point: 120 deg C
Solubility:1 g dissolves in 2500 ml cold water; 1 g dissolves in 107 ml boiling water; 1 g dissolves in 5 ml boiling alcohol; 1 g dissolves in 50 ml ether
In water, 322 mg/l @ 25 deg C

The Benzidine sulphate with the cas number 21136-70-9 is also called 4,4'-Diaminodiphenylene sulfate. The systematic name is biphenyl-4,4'-diaminium sulfate. Its EINECS registry number is 244-236-4. The molecular formula is C12H12N2.H2SO4.

The properties of the chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 7.83; (6)ACD/BCF (pH 7.4): 9.06; (7)ACD/KOC (pH 5.5): 145.68; (8)ACD/KOC (pH 7.4): 168.41; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 60.43 kJ/mol; (14)Vapour Pressure: 2.5×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(c2ccc(cc2)N)ccc(cc1)N.S(=O)(=O)(O)O
(2)InChI: InChI=1/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)

Color: White or slightly-reddish, crystalline powder
Grayish-yellow, reddish-gray, or white crystalline powder [Note: Darkens on exposure to air and light].
Safety Data