| Identification | |
| Name: | Benzoic acid,3-[(dimethylamino)sulfonyl]- |
| Synonyms: | Benzoicacid, m-(dimethylsulfamoyl)- (7CI,8CI);3-(N,N-Dimethylsulfamoyl)benzoic acid;3-[(Dimethylamino)sulfonyl]benzoic acid; |
| CAS: | 7326-73-0 |
| Molecular Formula: | C9H11NO4S |
| Molecular Weight: | 229.25632 |
| InChI: | InChI=1/C9H11NO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)/p-1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.368 g/cm3 |
| Refractive index: | 1.57 |
| Specification: |
The 3-(Dimethylsulphamoyl)benzoic acid, with the CAS registry number 7326-73-0, is also called Benzoic acid, 3-[(dimethylamino)sulfonyl]-. It should be stored at dry and cool environment. And the molecular formula of the chemical is C9H11NO4S. The characteristics of 3-(Dimethylsulphamoyl)benzoic acid are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.06 Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 54.98 cm3; (13)Molar Volume: 167.5 cm3; (14)Polarizability: 21.79×10-24cm3; (15)Surface Tension: 52.1 dyne/cm; (16)Density: 1.368 g/cm3; (17)Flash Point: 206 °C; (18)Enthalpy of Vaporization: 70.68 kJ/mol; (19)Boiling Point: 417.1 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-07 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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