Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Methylsulfonyl)benzylchloride |
EINECS | N/A |
CAS No. | 40517-43-9 | Density | 1.287 g/cm3 |
PSA | 42.52000 | LogP | 2.90970 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
p-Methylsulfonylbenzyl chloride;1-Chloromethyl-4-methanesulfonylbenzene;4-(Chloromethyl)phenyl methyl sulfone;4-(Methylsulfonyl)benzylchloride; |
Article Data | 9 |
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