CAS No.4029-41-8,N-(3-CHLORO-QUINOXALIN-2-YL)-4-METHYL-BENZENESULFONAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4029-41-8
Name:	N-(3-CHLORO-QUINOXALIN-2-YL)-4-METHYL-BENZENESULFONAMIDE
Article Data:	1

Formula:	C₁₅H₁₂ClN₃O₂S
Molecular Weight:	333.798
Synonyms:	p-Toluenesulfonamide,N-(3-chloro-2-quinoxalinyl)- (7CI,8CI);N-(3-Chloro-quinoxalin-2-yl)-4-methyl-benzenesulfonamide;N-(3-chloro-2-quinoxalinyl)-4-methylbenzenesulfonamide;
Density:	1.468 g/cm³
Boiling Point:	495.5 °C at 760 mmHg
Flash Point:	253.5 °C
PSA:	80.33000
LogP:	4.54620

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Specification

The Benzenesulfonamide,N-(3-chloro-2-quinoxalinyl)-4-methyl-, with the CAS registry number 4029-41-8, is also known as N-(3-chloro-2-quinoxalinyl)-4-methylbenzenesulfonamide. This chemical's molecular formula is C₁₅H₁₂ClN₃O₂S and molecular weight is 333.79. What's more, its systematic name is N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.

Physical properties of Benzenesulfonamide,N-(3-chloro-2-quinoxalinyl)-4-methyl- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 158.8; (6)ACD/BCF (pH 7.4): 7.83; (7)ACD/KOC (pH 5.5): 1155.5; (8)ACD/KOC (pH 7.4): 56.94; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.54 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 86.53 cm³; (15)Molar Volume: 227.3 cm³; (16)Polarizability: 34.3×10^-24 cm³; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.468 g/cm³; (19)Flash Point: 253.5 °C; (20)Enthalpy of Vaporization: 76.31 kJ/mol; (21)Boiling Point: 495.5 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-dichloro-quinoxaline and toluene-4-sulfonamide by heating. This reaction will need reagent K₂CO₃ and solvent dimethylformamide with the reaction time of 1 hour. The yield is about 95%.

Benzenesulfonamide,N-(3-chloro-2-quinoxalinyl)-4-methyl- can be prepared by 2,3-dichloro-quinoxaline and toluene-4-sulfonamide.

Uses of Benzenesulfonamide,N-(3-chloro-2-quinoxalinyl)-4-methyl-: it can be used to produce 1,4-diazabenzo[b]phenoxazine by heating. It will need solvent dimethylformamide with the reaction time of 15 min. The yield is about 87%.

2-amino-phenol and Benzenesulfonamide,N-(3-chloro-2-quinoxalinyl)-4-methyl- can be used to produce 1,4-diazabenzo[b]phenoxazine.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=S(=O)(c1ccc(cc1)C)Nc2nc3ccccc3nc2Cl
(2)InChI: InChI=1/C15H12ClN3O2S/c1-10-6-8-11(9-7-10)22(20,21)19-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19)
(3)InChIKey: MDPCPLUKDJWCIZ-UHFFFAOYAU