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7467-12-1

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Basic Information
CAS No.: 7467-12-1
Name: Benzenesulfonamide, 2,4-dimethyl- (9CI)
Article Data: 15
Molecular Structure:
Molecular Structure of 7467-12-1 (Benzenesulfonamide, 2,4-dimethyl- (9CI))
Formula: C8H11NO2S
Molecular Weight: 185.247
Synonyms: 2,4-Xylenesulfonamide(6CI);2,4-Dimethylbenzenesulfonamide;NSC 400648;
EINECS: 231-261-0
Density: 1.227 g/cm3
Melting Point: 139～141℃
Boiling Point: 336.9 °C at 760 mmHg
Flash Point: 157.5 °C
PSA: 68.54000
LogP: 2.73190
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Specification

The CAS registry number of Benzenesulfonamide,2,4-dimethyl- is 7467-12-1. It belongs to the product category of Sulfonamide. This chemical is also named as 2,4-Xylenesulfonamide(6CI). In addition, its molecular formula is C8H11NO2S and molecular weight is 185.24344. Its systematic name and IUPAC name are the same which is called 2,4-dimethylbenzenesulfonamide.

Physical properties about Benzenesulfonamide,2,4-dimethyl- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 113.46; (8)ACD/KOC (pH 7.4): 113.32; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 48.43 cm3; (14)Molar Volume: 150.9 cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.227 g/cm3; (17)Flash Point: 157.5 °C; (18)Enthalpy of Vaporization: 58.01 kJ/mol; (19)Boiling Point: 336.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1C)C)N
(2)InChI: InChI=1/C8H11NO2S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
(3)InChIKey: UGBKWMBOBQOCSS-UHFFFAOYAC