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CAS No.: | 26199-83-7 |
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Name: | N,N-DIMETHYL 3-NITROBENZENESULFONAMIDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H10N2O4S |
Molecular Weight: | 230.244 |
Synonyms: | Benzenesulfonamide,N,N-dimethyl-m-nitro- (6CI,7CI,8CI);N,N-Dimethyl-3-nitrobenzenesulfonamide;NSC 12995; |
Density: | 1.38 g/cm3 |
Melting Point: | 120-121 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 363.9 °C at 760 mmHg |
Flash Point: | 173.9 °C |
PSA: | 91.58000 |
LogP: | 2.44910 |
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The CAS registry number of Benzenesulfonamide,N,N-dimethyl-3-nitro- is 26199-83-7. It belongs to the product categories of Blocks; NitroCompounds; Sulfonamides. This chemical is also named as 3-Nitro-N,N-dimethylbenzenesulfonamide. In addition, its molecular formula is C8H10N2O4S and molecular weight is 230.24. Its systematic name and IUPAC name are the same which is called N,N-dimethyl-3-nitrobenzenesulfonamide.
Physical properties about Benzenesulfonamide,N,N-dimethyl-3-nitro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.57; (7)Molar Refractivity: 54.74 cm3; (8)Molar Volume: 166.8 cm3; (9)Surface Tension: 51.4 dyne/cm; (10)Density: 1.38 g/cm3; (11)Flash Point: 173.9 °C; (12)Enthalpy of Vaporization: 61 kJ/mol; (13)Boiling Point: 363.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(C)C)c1cc([N+]([O-])=O)ccc1
(2)InChI: InChI=1/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-4-7(6-8)10(11)12/h3-6H,1-2H3
(3)InChIKey: SIAFPFYUZDZDQD-UHFFFAOYAL