4-(Methylsulfonyl)benzylchloride supplier

Name
P-(METHYLSULFONYL)BENZYL CHLORIDE
EINECS
CAS No. 40517-43-9
Article Data9
CAS DataBase
Density 1.287 g/cm³
Solubility
Melting Point 78-80°C
Formula C₈H₉ClO₂S
Boiling Point 365 °C at 760 mmHg
Molecular Weight 204.677
Flash Point 174.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms p-Methylsulfonylbenzyl chloride;1-Chloromethyl-4-methanesulfonylbenzene;4-(Chloromethyl)phenyl methyl sulfone;4-(Methylsulfonyl)benzylchloride;
PSA 42.52000
LogP 2.90970

4-(Methylsulfonyl)benzylchloride Specification

The Benzene,1-(chloromethyl)-4-(methylsulfonyl)-, with the CAS registry number 40517-43-9, is also known as p-Methylsulfonylbenzyl chloride. This chemical's molecular formula is C₈H₉ClO₂S and molecular weight is 204.67. What's more, its IUPAC name is 1-(chloromethyl)-4-methylsulfonylbenzene. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzene,1-(chloromethyl)-4-(methylsulfonyl)- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.26; (6)ACD/BCF (pH 7.4): 2.26; (7)ACD/KOC (pH 5.5): 62.39; (8)ACD/KOC (pH 7.4): 62.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 49.65 cm³; (15)Molar Volume: 158.9 cm³; (16)Polarizability: 19.68×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 174.5 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 365 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(cc1)S(=O)(=O)C
(2)Std. InChI: InChI=1S/C8H9ClO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
(3)Std. InChIKey: LXPRVXKHIXWBJZ-UHFFFAOYSA-N

Product Name

P-(METHYLSULFONYL)BENZYL CHLORIDE

4-(Methylsulfonyl)benzylchloride Specification

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