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3-Hydrazinobenzenesulfonamide

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Name

3-Hydrazinobenzenesulfonamide

EINECS N/A
CAS No. 131774-72-6 Density 1.498g/cm3
PSA 106.59000 LogP 2.17400
Solubility N/A Melting Point N/A
Formula C6H9N3O2S Boiling Point 452.611 °C at 760 mmHg
Molecular Weight 187.222 Flash Point 227.531 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131774-72-6 (3-Hydrazinobenzenesulfonamide) Hazard Symbols N/A
Synonyms

Benzenesulfonamide,3-hydrazino- (9CI);

 

3-Hydrazinobenzenesulfonamide Specification

The 3-Hydrazinobenzenesulfonamide, with cas registry number 131774-72-6, belongs to the following product categories: SULFONAMIDE. Its systematic name and its IUPAC name are the same, which is 3-hydrazinylbenzenesulfonamide. Besides this, it is also called benzenesulfonamide, 3-hydrazinyl-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.762; (5)ACD/KOC (pH 7.4): 17.606; (6)#H bond acceptors: 5; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 106.59 Å2; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 46.461 cm3; (12)Molar Volume: 125.009 cm3; (13)Polarizability: 18.418×10-24cm3; (14)Surface Tension: 76.095 dyne/cm; (15)Enthalpy of Vaporization: 71.187 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(cc(c1)S(=O)(=O)N)NN
(2)InChI: InChI=1/C6H9N3O2S/c7-9-5-2-1-3-6(4-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
(3)InChIKey: QWQDXEPJHSJIQN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H9N3O2S/c7-9-5-2-1-3-6(4-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
(5)Std. InChIKey: QWQDXEPJHSJIQN-UHFFFAOYSA-N

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