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CAS No. 36635-56-0 Density 1.253 g/cm3
PSA 71.62000 LogP 2.57980
Solubility N/A Melting Point 109-111 °C
Formula C9H11NO3S Boiling Point 486.1 °C at 760 mmHg
Molecular Weight 213.257 Flash Point 247.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 36635-56-0 (N-(p-Tolylsulfonylmethyl)formamide) Hazard Symbols N/A


Article Data 13

N-(p-Tolylsulfonylmethyl)formamide Specification

The N-(p-Tolylsulfonylmethyl)formamide is an organic compound with the formula C9H11NO3S. The systematic name of this chemical is N-{[(4-methylphenyl)sulfonyl]methyl}formamide. With the CAS registry number 36635-56-0, it is also named as [(4-methylphenyl)sulfonyl]methylformamide.

Physical properties about N-(p-Tolylsulfonylmethyl)formamide are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): 0.62; (4)ACD/BCF (pH 5.5): 1.73; (5)ACD/BCF (pH 7.4): 1.73; (6)ACD/KOC (pH 5.5): 51.49; (7)ACD/KOC (pH 7.4): 51.49; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 62.83 Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 53.44 cm3; (14)Molar Volume: 170.1 cm3; (15)Polarizability: 21.18×10-24cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.253 g/cm3; (18)Flash Point: 247.8 °C; (19)Enthalpy of Vaporization: 75.17 kJ/mol; (20)Boiling Point: 486.1 °C at 760 mmHg; (21)Vapour Pressure: 1.34E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by formamide, p-toluenesulfinate and formaldehyde. This reaction is a kind of Condensation. This reaction will need reagent formic acid. The reaction time is 120 min with reaction temperature of 90 °C. The yield is about 90%.

Uses of N-(p-Tolylsulfonylmethyl)formamide: it can be used to produce 1-isocyanomethanesulfonyl-4-methyl-benzene. It will need reagent POCl3, Et3N.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)CNC=O
(2)InChI: InChI=1/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)
(4)Std. InChI: InChI=1S/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)

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