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Benzenemethanesulfonylchloride, 2-methyl-

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Name

Benzenemethanesulfonylchloride, 2-methyl-

EINECS N/A
CAS No. 92614-55-6 Density 1.325 g/cm3
PSA 42.52000 LogP 3.14440
Solubility N/A Melting Point 52 °C
Formula C8H9ClO2S Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 204.677 Flash Point 140 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 92614-55-6 (O-TOLYL-METHANESULFONYL CHLORIDE) Hazard Symbols C,Xn
Synonyms

(2-Methylphenyl)methanesulfonylchloride;2-Methylbenzylsulfonyl chloride;

Article Data 8

Benzenemethanesulfonylchloride, 2-methyl- Specification

This chemical is called Benzenemethanesulfonylchloride, 2-methyl-, and its systematic name is (2-methylphenyl)methanesulfonyl chloride. With the molecular formula of C8H9ClO2S, its molecular weight is 204.67. The CAS registry number of this chemical is 92614-55-6.

Other characteristics of the Benzenemethanesulfonylchloride, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.51; (6)ACD/BCF (pH 7.4): 44.51; (7)ACD/KOC (pH 5.5): 526.69; (8)ACD/KOC (pH 7.4): 526.69; (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: 1.556; (14)Molar Refractivity: 49.65 cm3; (15)Molar Volume: 154.4 cm3; (16)Polarizability: 19.68×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 52.67 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(Cl)(=O)Cc1ccccc1C
2.InChI: InChI=1/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
3.InChIKey: NDMREUGSHNSYBI-UHFFFAOYAZ

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