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Name |
3,4-Diaminobenzenesulfonamide |
EINECS | N/A |
CAS No. | 2360-20-5 | Density | 1.522 g/cm3 |
PSA | 120.58000 | LogP | 2.44190 |
Solubility | N/A | Melting Point |
160 °C |
Formula | C6H9N3O2S | Boiling Point | 475.9 °C at 760 mmHg |
Molecular Weight | 187.222 | Flash Point | 241.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3,4-Diaminobenzene-1-sulfonamide; |
Article Data | 4 |
The Benzenesulfonamide,3,4-diamino-, with the CAS registry number 2360-20-5, is also known as 3,4-Diaminobenzenesulphonamide 95+%. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C6H9N3O2S and molecular weight is 187.22. Its IUPAC name is called 3,4-diaminobenzenesulfonamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzenesulfonamide,3,4-diamino-: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 2.35; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 46.42 cm3; (14)Molar Volume: 122.9 cm3; (15)Surface Tension: 81 dyne/cm; (16)Density: 1.522 g/cm3; (17)Flash Point: 241.6 °C; (18)Enthalpy of Vaporization: 73.95 kJ/mol; (19)Boiling Point: 475.9 °C at 760 mmHg; (20)Vapour Pressure: 3.19E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)N)N
(2)InChI: InChI=1S/C6H9N3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
(3)InChIKey: QULXUUQWVHVHSM-UHFFFAOYSA-N