CAS No.58955-78-5,N-METHYL 3-NITROBENZENESULFONAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58955-78-5
Name:	N-METHYL 3-NITROBENZENESULFONAMIDE
Article Data:	9

Formula:	C₇H₈N₂O₄S
Molecular Weight:	216.218
Synonyms:	N-Methyl-3-nitrobenzenesulfonamide;
Density:	1.423 g/cm³
Melting Point:	110-114 °C
Boiling Point:	369.4 °C at 760 mmHg
Flash Point:	177.2 °C
Hazard Symbols:	Xi
PSA:	100.37000
LogP:	2.49780

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Specification

The Benzenesulfonamide, N-methyl-3-nitro-, with the CAS registry number of 58955-78-5, is also known as N-Methyl-3-nitrobenzenesulphonamide. It belongs to the product categories of Blocks; NitroCompounds; Sulfonamides. This chemical's molecular formula is C₇H₈N₂O₄S and molecular weight is 216.21. What's more, its IUPAC name is N-Methyl-3-nitrobenzenesulfonamide. Besides, this chemical must be kept in cold storage.

Physical properties about Benzenesulfonamide, N-methyl-3-nitro- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.78; (6)ACD/BCF (pH 7.4): 4.77; (7)ACD/KOC (pH 5.5): 106.62; (8)ACD/KOC (pH 7.4): 106.52; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.58 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 49.88 cm³; (15)Molar Volume: 151.8 cm³; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.423 g/cm³; (18)Flash Point: 177.2 °C; (19)Enthalpy of Vaporization: 61.62 kJ/mol; (20)Boiling Point: 369.4 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NC)c1cc([N+]([O-])=O)ccc1
(2) InChI: InChI=1/C7H8N2O4S/c1-8-14(12,13)7-4-2-3-6(5-7)9(10)11/h2-5,8H,1H3
(3) InChIKey: FKHDGRMKIXBKNM-UHFFFAOYAQ