CAS No.2905-29-5,2,6-DIMETHYLBENZENESULFONYL CHLORIDE Suppliers

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Molecular Structure:
CAS No.:	2905-29-5
Name:	2,6-DIMETHYLBENZENESULFONYL CHLORIDE
Article Data:	2

Formula:	C₈H₉ClO₂S
Molecular Weight:	204.677
Synonyms:	2,6-Dimethylbenzenesulfonyl chloride;2,6-Dimethylbenzene-1-sulfonyl chloride;
Density:	1.29 g/cm³
Boiling Point:	291.3 °C at 760 mmHg
Flash Point:	130 °C
PSA:	42.52000
LogP:	3.31170

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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