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5339-59-3

Basic Information
CAS No.: 5339-59-3
Name: N,N-DIBUTYLBENZENESULFONAMIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 5339-59-3 (N,N-DIBUTYLBENZENESULFONAMIDE)
Formula: C14H23NO2S
Molecular Weight: 269.408
Synonyms: N,N-Dibutylbenzenesulfonamide;NSC 3537;
Density: 1.06 g/cm3
Boiling Point: 374.1 °C at 760 mmHg
Flash Point: 180.1 °C
Hazard Symbols: IrritantXi
Safety: 24/25
PSA: 45.76000
LogP: 4.35830
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Specification

The CAS registry number of Benzenesulfonamide, N,N-dibutyl- is 5339-59-3. This chemical is also named as BUTTPARK 45\07-33. In addition, its molecular formula is C14H23NO2S and molecular weight is 269.4. Its systematic name is called N,N-dibutylbenzenesulfonamide.

Physical properties about Benzenesulfonamide, N,N-dibutyl- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.514; (7)Molar Refractivity: 76.49 cm3; (8)Molar Volume: 254 cm3; (9)Surface Tension: 37.8 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 180.1 °C; (12)Enthalpy of Vaporization: 62.15 kJ/mol; (13)Boiling Point: 374.1 °C at 760 mmHg.

Preparation: this chemical can be prepared by 1-bromo-butane and benzenesulfonamide. This reaction will need reagents NaOH, K2CO3, catalyst tetra-n-butylaminium hydrogen sulfate and solvent benzene. The reaction time is 3.5 hours by heating. The yield is about 88 %.

Benzenesulfonamide, N,N-dibutyl- can be prepared by 1-bromo-butane and benzenesulfonamide

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. We should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(CCCC)CCCC)c1ccccc1
(2)InChI: InChI=1/C14H23NO2S/c1-3-5-12-15(13-6-4-2)18(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
(3)InChIKey: YKXINVWHNNYQMA-UHFFFAOYAZ