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Benzenesulfonyl chloride, 2,6-dimethyl-

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Name

Benzenesulfonyl chloride, 2,6-dimethyl-

EINECS N/A
CAS No. 2905-29-5 Density 1.29 g/cm3
PSA 42.52000 LogP 3.31170
Solubility N/A Melting Point N/A
Formula C8H9ClO2S Boiling Point 291.3 °C at 760 mmHg
Molecular Weight 204.677 Flash Point 130 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2905-29-5 (Benzenesulfonyl chloride, 2,6-dimethyl-) Hazard Symbols N/A
Synonyms

2,6-Dimethylbenzenesulfonyl chloride;2,6-Dimethylbenzene-1-sulfonyl chloride;

Article Data 2

Benzenesulfonyl chloride, 2,6-dimethyl- Specification

The Benzenesulfonyl chloride, 2,6-dimethyl-, with the CAS registry number 2905-29-5, is also known as 2,6-Dimethylbenzene-1-sulfonyl chloride. This chemical's molecular formula is C8H9ClO2S and molecular weight is 204.67. What's more, its systematic name is 2,6-dimethylbenzenesulfonyl chloride.

Physical properties of Benzenesulfonyl chloride, 2,6-dimethyl- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.41; (6)ACD/BCF (pH 7.4): 95.41; (7)ACD/KOC (pH 5.5): 909.12; (8)ACD/KOC (pH 7.4): 909.12; (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: 1.538; (14)Molar Refractivity: 49.64 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 19.68×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 130 °C; (20)Enthalpy of Vaporization: 50.94 kJ/mol; (21)Boiling Point: 291.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00344 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(cccc1C)C
(2)InChI: InChI=1S/C8H9ClO2S/c1-6-4-3-5-7(2)8(6)12(9,10)11/h3-5H,1-2H3
(3)InChIKey: FKRXAOXJRNLGQK-UHFFFAOYSA-N

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