-
Name
4-ACETYL-N,N-DIETHYL-BENZENESULFONAMIDE
- EINECS
- CAS No. 1658-97-5
- Article Data6
- CAS DataBase
- Density 1.163 g/cm3
- Solubility
- Melting Point
- Formula C12H17NO3S
- Boiling Point 389 °C at 760 mmHg
- Molecular Weight 255.33
- Flash Point 189.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzenesulfonamide,p-acetyl-N,N-diethyl- (7CI);
- PSA 62.83000
- LogP 3.00050
Benzenesulfonamide,4-acetyl-N,N-diethyl- Specification
The CAS registry number of Benzenesulfonamide,4-acetyl-N,N-diethyl- is 1658-97-5. This chemical is also named as Benzenesulfonamide,p-acetyl-N,N-diethyl- (7CI). In addition, its molecular formula is C12H17NO3S and molecular weight is 255.33. Its systematic name and IUPAC name are the same which is called 4-acetyl-N,N-diethylbenzenesulfonamide.
Physical properties about this chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.525; (7)Molar Refractivity: 67.34 cm3; (8)Molar Volume: 219.5 cm3; (9)Surface Tension: 40.3 dyne/cm; (10)Density: 1.163 g/cm3; (11)Flash Point: 189.1 °C; (12)Enthalpy of Vaporization: 63.83 kJ/mol; (13)Boiling Point: 389 °C at 760 mmHg.
Uses of Benzenesulfonamide,4-acetyl-N,N-diethyl-: it can be used to produce N'-[1-(4-diethylsulfamoyl-phenyl)-ethylidene]-hydrazinecarbodithioic acid methyl ester by heating. It will need solvent methanol with reaction time of 3 hours. The yield is about 83 %.
![Benzenesulfonamide,4-acetyl-N,N-diethyl- can be used to produce N'-[1-(4-diethylsulfamoyl-phenyl)-ethylidene]-hydrazinecarbodithioic acid methyl ester](/UserFilesUpload/uses of Benzenesulfonamide,4-acetyl-N,N-diethyl-.png)
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(CC)CC)c1ccc(C(=O)C)cc1
(2)InChI: InChI=1/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
(3)InChIKey: OKAAHYQTIYWBEL-UHFFFAOYAP
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