Benzenesulfonamide,3-nitro-N-phenyl- supplier

Name
m-nitro-N-phenylbenzenesulphonamide
EINECS 249-225-8
CAS No. 28791-26-6
Article Data14
CAS DataBase
Density 1.461 g/cm³
Solubility
Melting Point 122-123 °C
Formula C₁₂H₁₀N₂O₄S
Boiling Point 454.2 °C at 760 mmHg
Molecular Weight 278.288
Flash Point 228.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonanilide,3-nitro- (6CI,7CI,8CI);3-Nitro-N-phenylbenzenesulfonamide;3-Nitrobenzenesulfonanilide;3-nitro-N-phenylbenzenesulfonamide;benzenesulfonamide, 3-nitro-N-phenyl-;3-Nitro-N-phenylbenzenesulfonamide;
PSA 100.37000
LogP 4.07260

Benzenesulfonamide,3-nitro-N-phenyl- Specification

The Benzenesulfonamide,3-nitro-N-phenyl-, with the CAS registry number 28791-26-6 and EINECS registry number 249-225-8, has the systematic name of 3-nitro-N-phenylbenzenesulfonamide. And the molecular formula of the chemical is C₁₂H₁₀N₂O₄S.

The characteristics of Benzenesulfonamide,3-nitro-N-phenyl- are as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 79.3; (6)ACD/BCF (pH 7.4): 60.02; (7)ACD/KOC (pH 5.5): 795.43; (8)ACD/KOC (pH 7.4): 602.02; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.58 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 69.96 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 27.73×10^-24cm³; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.461 g/cm³; (19)Flash Point: 228.5 °C; (20)Enthalpy of Vaporization: 71.38 kJ/mol; (21)Boiling Point: 454.2 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Nc1ccccc1)c2cc([N+]([O-])=O)ccc2
(2)InChI: InChI=1/C12H10N2O4S/c15-14(16)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h1-9,13H
(3)InChIKey: OXJDTNIWMQCOQT-UHFFFAOYAD

Product Name

m-nitro-N-phenylbenzenesulphonamide

Benzenesulfonamide,3-nitro-N-phenyl- Specification

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