-
Name
[1,1'-Biphenyl]-4,4'-diamine sulphate
- EINECS 244-236-4
- CAS No. 21136-70-9
- Density 1.156g/cm3
- Solubility
- Melting Point 120oC
- Formula C12H12N2.H2SO4
- Boiling Point 358.7 °C at 760 mmHg
- Molecular Weight 748.881
- Flash Point 203.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzidine sulfate;4,4'-Diaminobiphenyl sulphate;4,4'-Diaminodiphenylene sulfate;
- PSA 135.02000
- LogP 4.10840
Benzidine sulphate Specification
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)
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