Benzene,2,4-dimethyl-1-(methylsulfonyl)- supplier

Name
2,4-DIMETHYL-1-(METHYLSULFONYL)BENZENE
EINECS
CAS No. 6462-28-8
Article Data3
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₂S
Boiling Point 327.8 °C at 760 mmHg
Molecular Weight 184.2554
Flash Point 183.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2,4-Dimethylphenyl) methyl sulfone;Sulfone,methyl 2,4-xylyl (6CI,7CI,8CI);
PSA 42.52000
LogP 2.78770

Benzene,2,4-dimethyl-1-(methylsulfonyl)- Specification

The CAS register number of Benzene,2,4-dimethyl-1-(methylsulfonyl)- is 6462-28-8. It also can be called as (2,4-Dimethylphenyl) methyl sulfone and the systematic name about this chemical is 2,4-dimethyl-1-(methylsulfonyl)benzene. The molecular formula about this chemical is C₉H₁₂O₂S and the molecular weight is 184.2554.

Physical properties about Benzene,2,4-dimethyl-1-(methylsulfonyl)- are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 7.07; (5)ACD/BCF (pH 7.4): 7.07; (6)ACD/KOC (pH 5.5): 141.11; (7)ACD/KOC (pH 7.4): 141.11; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52 Å²; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 49.44 cm³; (13)Molar Volume: 163.7 cm³; (14)Polarizability: 19.6x10^-24cm³; (15)Surface Tension: 35.5 dyne/cm; (16)Density: 1.125 g/cm³; (17)Flash Point: 183.2 °C; (18)Enthalpy of Vaporization: 54.75 kJ/mol; (19)Boiling Point: 327.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000378 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1C)C)C
(2)InChI: InChI=1/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3
(3)InChIKey: QTPNJZSUGOJDDN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H12O2S/c1-7-4-5-9(8(2)6-7)12(3,10)11/h4-6H,1-3H3
(5)Std. InChIKey: QTPNJZSUGOJDDN-UHFFFAOYSA-N

Product Name

2,4-DIMETHYL-1-(METHYLSULFONYL)BENZENE

Benzene,2,4-dimethyl-1-(methylsulfonyl)- Specification

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