Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)- supplier

Name
2,6-DIMETHYL-3-(METHYLSULFONYL)ANILINE
EINECS
CAS No. 10311-40-7
Density 1.2 g/cm³
Solubility
Melting Point 103-105°C
Formula C₉H₁₃NO₂S
Boiling Point 402.7 °C at 760 mmHg
Molecular Weight 199.274
Flash Point 197.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2, 6-Dimethyl-3-(methylsulfonyl)aniline;
PSA 68.54000
LogP 2.95110

Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)- Specification

The Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)-, with the CAS registry number 10311-40-7, is also known as 2,6-Dimethyl-3-(methylsulfonyl)aniline. This chemical's molecular formula is C₉H₁₃NO₂S and molecular weight is 199.270020. What's more, its IUPAC name is 2, 6-Dimethyl-3-methylsulfonylaniline.

Physical properties about Benzenamine, 2, 6-dimethyl-3-(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): 20.85; (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)Polarizability: 21.03×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 402.7 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(c(N)c1C)C)C
(2) InChI: InChI=1/C9H13NO2S/c1-6-4-5-8(13(3,11)12)7(2)9(6)10/h4-5H,10H2,1-3H3
(3) InChIKey: IAWUBBZDJUPVOE-UHFFFAOYAW

Product Name

2,6-DIMETHYL-3-(METHYLSULFONYL)ANILINE

Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)- Specification

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