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CAS No.: | 6319-45-5 |
---|---|
Name: | N1-METHYL-4-NITROBENZENE-1-SULFONAMIDE |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C7H8N2O4S |
Molecular Weight: | 216.218 |
Synonyms: | Benzenesulfonamide,N-methyl-p-nitro- (6CI,8CI);4-Nitrobenzenesulfonic acid methylamide;N-Methyl-4-nitrobenzenesulfonamide;N-Methyl-p-nitrobenzenesulfonamide;NSC31052; |
Density: | 1.423 g/cm3 |
Melting Point: | 105-106 °C |
Boiling Point: | 377.7 °C at 760 mmHg |
Flash Point: | 182.3 °C |
PSA: | 100.37000 |
LogP: | 2.49780 |
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The CAS registry number of Benzenesulfonamide,N-methyl-4-nitro- is 6319-45-5. This chemical is also named as Methyl[(4-nitrophenyl)sulfonyl]amine. In addition, its molecular formula is C7H8N2O4S and molecular weight is 216.21442. Its systematic name and IUPAC name are the same which is called N-methyl-4-nitrobenzenesulfonamide.
Physical properties about Benzenesulfonamide,N-methyl-4-nitro- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.57; (7)Molar Refractivity: 49.88 cm3; (8)Molar Volume: 151.8 cm3; (9)Surface Tension: 52.4 dyne/cm; (10)Density: 1.423 g/cm3; (11)Flash Point: 182.3 °C; (12)Enthalpy of Vaporization: 62.56 kJ/mol; (13)Boiling Point: 377.7 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC)c1ccc([N+]([O-])=O)cc1
(2)InChI: InChI=1/C7H8N2O4S/c1-8-14(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
(3)InChIKey: IHIJFQRUYCEKCZ-UHFFFAOYAI