CAS No.1671-18-7,2-CHLORO-1-METHYL-(4-METHYLSULFONYL) BENZENE Suppliers

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Molecular Structure:
CAS No.:	1671-18-7
Name:	2-CHLORO-1-METHYL-(4-METHYLSULFONYL) BENZENE
Article Data:	7

Formula:	C₈H₉ClO₂S
Molecular Weight:	204.677
Synonyms:	Sulfone,3-chloro-p-tolyl methyl (6CI,7CI,8CI);2-Chloro-1-methyl-4-(methylsulfonyl)benzene;2-Chloro-4-(methylsulfonyl)toluene;3-Chloro-4-methyl(methylsulfonyl)benzene;3-Chloro-4-methylphenyl methylsulfone;
Density:	1.283g/cm³
Melting Point:	95-96 °C
Boiling Point:	351°Cat760mmHg
Flash Point:	166.1°C
PSA:	42.52000
LogP:	3.13270

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Specification

The 2-Chloro-4-(methylsulfonyl)toluene with the cas number 1671-18-7 is also called Benzene,2-chloro-1-methyl-4-(methylsulfonyl)-. The systematic name is 2-chloro-1-methyl-4-(methylsulfonyl)benzene. Its molecular formula is C₈H₉ClO₂S. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 265; (8)ACD/KOC (pH 7.4): 265; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 49.647 cm³; (15)Molar Volume: 159.437 cm³; (16)Polarizability: 19.682×10^-24cm³; (17)Surface Tension: 39.119 dyne/cm; (18)Enthalpy of Vaporization: 57.217 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1C)S(=O)(=O)C
(2)InChI: InChI=1/C8H9ClO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
(3)InChIKey: YHIYSPGAOWANSA-UHFFFAOYAO