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166964-26-7

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Basic Information
CAS No.: 166964-26-7
Name: 2,5-DIMETHYL-3-FURANSULFONYL CHLORIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 166964-26-7 (2,5-DIMETHYL-3-FURANSULFONYL CHLORIDE)
Formula: C6H7ClO3S
Molecular Weight: 194.639
Synonyms: 2,5-Dimethylfuran-3-sulfonylchloride;
Density: 1.376 g/cm3
Boiling Point: 263.1 °C at 760 mmHg
Flash Point: 112.9 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
Safety: 26
PSA: 55.66000
LogP: 2.90470
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Specification

The 3-Furansulfonylchloride, 2, 5-dimethyl-, with the CAS registry number 166964-26-7, is also known as 2, 5-Dimethyl-3-furansulfonyl chloride. It belongs to the product category of Sulfonylhalide. This chemical's molecular formula is C6H7ClO3S and molecular weight is 194.64. What's more, its systematic name is 2, 5-Dimethylfuran-3-sulfonyl chloride.

Physical properties about 3-Furansulfonylchloride, 2, 5-dimethyl- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.99; (6)ACD/BCF (pH 7.4): 21.99; (7)ACD/KOC (pH 5.5): 317.92; (8)ACD/KOC (pH 7.4): 317.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.66 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 42.13 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 16.7×10-24 cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 112.9 °C; (20)Enthalpy of Vaporization: 48.07 kJ/mol; (21)Boiling Point: 263.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0171 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1cc(oc1C)C
(2) InChI: InChI=1/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
(3) InChIKey: PIXAQZAVANAGLE-UHFFFAOYAN