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N-Methyl-p-toluenesulfonamide

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Name

N-Methyl-p-toluenesulfonamide

EINECS 211-366-8
CAS No. 640-61-9 Density 1.185 g/cm3
PSA 54.55000 LogP 2.37480
Solubility N/A Melting Point 76-79 °C(lit.)
Formula C8H11NO2S Boiling Point 296.5 °C at 760 mmHg
Molecular Weight 185.247 Flash Point 133.1 °C
Transport Information N/A Appearance white to light yellow crystalline solid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 640-61-9 (N-Methyl-p-toluenesulfonamide) Hazard Symbols IrritantXi
Synonyms

p-Toluenesulfonamide,N-methyl- (6CI,7CI,8CI);(p-Tolylsulfonyl)methylamine;4,N-Dimethylbenzenesulfonamide;4-Methyl-N-methylbenzenesulfonamide;N,4-Dimethylbenzenesulfonamide;N-Methyl-4-methylbenzenesulfonamide;N-Methyl-para-toluenesulfonamide;NSC 2223;NSC 36991;

Article Data 142

N-Methyl-p-toluenesulfonamide Specification

The Benzenesulfonamide,N,4-dimethyl-, with the CAS registry number 640-61-9, is also known as p-Toluenesulfonamide, N-methyl-. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines. Its EINECS registry number is 211-366-8. This chemical's molecular formula is C8H11NO2S and molecular weight is 185.24. Its IUPAC name is called N,4-dimethylbenzenesulfonamide. This chemical is white to light yellow crystalline solid.

Physical properties of Benzenesulfonamide,N,4-dimethyl-: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.22; (6)ACD/BCF (pH 7.4): 7.22; (7)ACD/KOC (pH 5.5): 143.3; (8)ACD/KOC (pH 7.4): 143.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 48.47 cm3; (14)Molar Volume: 156.3 cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.185 g/cm3; (17)Flash Point: 133.1 °C; (18)Enthalpy of Vaporization: 53.63 kJ/mol; (19)Boiling Point: 296.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00143 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonyl chloride and methylamine. This reaction will need reagent 12percent NaOH. The reaction time is 40 min by heating. The yield is about 97%.

Uses of Benzenesulfonamide,N,4-dimethyl-: it can be used to produce N-methyl-N-nitro-toluene-4-sulfonamide at temperature of 0 °C. This reaction will need reagent concentrated HNO3, Ac2O. The yield is about 92%.

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. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC
(2)InChI: InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3
(3)InChIKey: GWLOGZRVYXAHRE-UHFFFAOYSA-N

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