Benzenesulfonyl chloride, 2,6-dimethyl- supplier

Name
2,6-DIMETHYLBENZENESULFONYL CHLORIDE
EINECS
CAS No. 2905-29-5
Article Data2
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₈H₉ClO₂S
Boiling Point 291.3 °C at 760 mmHg
Molecular Weight 204.677
Flash Point 130 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethylbenzenesulfonyl chloride;2,6-Dimethylbenzene-1-sulfonyl chloride;
PSA 42.52000
LogP 3.31170

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

Product Name

2,6-DIMETHYLBENZENESULFONYL CHLORIDE

Benzenesulfonyl chloride, 2,6-dimethyl- Specification

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