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

Name
1,4-DICHLORO-2-(METHYLSULFONYL)BENZENE
EINECS
CAS No. 66640-63-9
Article Data2
CAS DataBase
Density 1.451 g/cm³
Solubility
Melting Point 375.4 °C at 760 mmHg
Formula C₇H₆Cl₂O₂S
Boiling Point 180.8 °C
Molecular Weight 225.09
Flash Point 180.8°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Dichloro-2-(methylsulfonyl)benzene;2,5-Dichlorophenyl methyl sulfone;Methylsulfonyl-2,5-dichlorobenzene;
PSA 42.52000
LogP 3.47770

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

The Benzene,1,4-dichloro-2-(methylsulfonyl)-, with the CAS registry number 66640-63-9, is also known as 2,5-Dichlorophenyl methyl sulfone. This chemical's molecular formula is C₇H₆Cl₂O₂S and molecular weight is 225.09. What's more, its IUPAC name is 1,4-dichloro-2-methylsulfonylbenzene.

Physical properties of Benzene,1,4-dichloro-2-(methylsulfonyl)- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.92; (6)ACD/BCF (pH 7.4): 19.92; (7)ACD/KOC (pH 5.5): 296.19; (8)ACD/KOC (pH 7.4): 296.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 49.85 cm³; (15)Molar Volume: 155.1 cm³; (16)Polarizability: 19.76×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 180.8 °C; (20)Enthalpy of Vaporization: 59.84 kJ/mol; (21)Boiling Point: 375.4 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Cl)ccc1Cl)C
(2)Std. InChI: InChI=1S/C7H6Cl2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
(3)Std. InChIKey: PBBNXJVBRMNLIN-UHFFFAOYSA-N

Product Name

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

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

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