CAS No.849035-63-8,2,4-DIMETHYL-5-(METHYLSULFONYL)ANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	849035-63-8
Name:	2,4-DIMETHYL-5-(METHYLSULFONYL)ANILINE

Formula:	C₉H₁₃NO₂S
Molecular Weight:	199.27
Synonyms:	2,4-Dimethyl-5-methylsulfonylaniline;
Density:	1.2 g/cm³
Melting Point:	112～115℃
Boiling Point:	404 °C at 760 mmHg
Flash Point:	198.1 °C
PSA:	68.54000
LogP:	2.95110

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Specification

The Benzenamine,2,4-dimethyl-5-(methylsulfonyl)-, with the CAS registry number 849035-63-8, is also known as 2,4-Dimethyl-5-methylsulfonylaniline. This chemical's molecular formula is C₉H₁₃NO₂S and molecular weight is 199.27. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Dimethyl-5-(methylsulfonyl)aniline.

Physical properties about Benzenamine,2,4-dimethyl-5-(methylsulfonyl)- are: (1) ACD/LogP: -0.11; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.11; (4) ACD/LogD (pH 7.4): -0.11; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 20.81; (8) ACD/KOC (pH 7.4): 20.86; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 45.76 Å²; (13) Index of Refraction: 1.552; (14) Molar Refractivity: 53.06 cm³; (15) Molar Volume: 166 cm³; (16) Surface Tension: 44 dyne/cm; (17) Density: 1.2 g/cm³; (18) Flash Point: 198.1 °C; (19) Enthalpy of Vaporization: 65.53 kJ/mol; (20) Boiling Point: 404 °C at 760 mmHg; (21) Vapour Pressure: 9.78E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cc(N)c(cc1C)C)C
(2) InChI: InChI=1/C9H13NO2S/c1-6-4-7(2)9(5-8(6)10)13(3,11)12/h4-5H,10H2,1-3H3
(3) InChIKey: RPXUEHXANDRWAI-UHFFFAOYAL