Basic information
- Name:
Benzenesulfonamide,4-amino-N-(4-aminophenyl)-
- Superlist Name:
- 4,4'-Diaminobenzenesulphanilide
- CAS No.:
16803-97-7
- Molecular Structure:
- Formula:
- C12H13N3O2S
- Molecular Weight:
- 263.32
- Deleted CAS:
- 35655-28-8
- Synonyms:
- 4-Amino-N-(4-aminophenyl)benzenesulfonamide;Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-;Bis-(4-aminophenyl)-sulfonamide;DASA;
- EINECS:
- 240-834-4
- Density:
- 1.438 g/cm3
- Boiling Point:
- 511.3 °C at 760 mmHg
- Flash Point:
- 263 °C
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Specification
The Benzenesulfonamide,4-amino-N-(4-aminophenyl)- with CAS registry number of 16803-97-7 is also known as 4,4'-Diaminobenzenesulphanilide. The systematic name is 4-Amino-N-(4-aminophenyl)benzenesulfonamide. Its EINECS registry number is 240-834-4. In addition, the formula is C12H13N3O2S and the molecular weight is 263.32.
Physical properties about Benzenesulfonamide,4-amino-N-(4-aminophenyl)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.705; (7)Molar Refractivity: 71.16 cm3; (8)Molar Volume: 183.1 cm3; (9)Surface Tension: 76.3 dyne/cm; (10)Density: 1.438 g/cm3; (11)Flash Point: 263 °C; (12)Enthalpy of Vaporization: 78.22 kJ/mol; (13)Boiling Point: 511.3 °C at 760 mmHg; (14)Vapour Pressure: 1.44E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(Nc1ccc(cc1)N)c2ccc(N)cc2
2. InChI: InChI=1/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
3. InChIKey: LWOAIKNLRVQTFT-UHFFFAOYAD
4. Std. InChI: InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
5. Std. InChIKey: LWOAIKNLRVQTFT-UHFFFAOYSA-N
