CAS No.38768-08-0,TROPOLONE TOSYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38768-08-0
Name:	TROPOLONE TOSYLATE
Article Data:	19

Formula:	C₁₄H₁₂O₄S
Molecular Weight:	276.313
Synonyms:	Tropolonep-toluenesulfonate;Tropolone tosylate;2-Tosyloxytropone;2-[(p-Tolylsulfonyl)oxy]tropone;2-(Tosyloxy)-2,4,6-cycloheptatrien-1-one;7-Oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate;7-Oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate;Toluene-4-sulfonic acid 7-oxo-cyclohepta-1,3,5-trienyl ester;7-oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate;
Density:	1.34 g/cm³
Melting Point:	160 °C
Boiling Point:	473.8 °C at 760 mmHg
Flash Point:	240.4 °C
Appearance:	White to light grey crystalline
PSA:	68.82000
LogP:	3.20370

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Specification

The 2,4,6-Cycloheptatrien-1-one,2-[[(4-methylphenyl)sulfonyl]oxy]-, with the CAS registry number 38768-08-0, is also known as 7-Oxo-1,3,5-cycloheptatrienyl p-toluenesulfonate. It belongs to the product categories of Tropolones; Tropolones & Azulenes. This chemical's molecular formula is C₁₄H₁₂O₄S and molecular weight is 276.31. What's more, its systematic name is 7-oxocyclohepta-1,3,5-trien-1-yl 4-methylbenzenesulfonate. It should be sealed and stored in cool and dry places.

Physical properties of 2,4,6-Cycloheptatrien-1-one,2-[[(4-methylphenyl)sulfonyl]oxy]- are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.71; (6)ACD/BCF (pH 7.4): 60.71; (7)ACD/KOC (pH 5.5): 657.8; (8)ACD/KOC (pH 7.4): 657.8; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 71.92 cm³; (15)Molar Volume: 204.9 cm³; (16)Polarizability: 28.51×10^-24 cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 240.4 °C; (20)Enthalpy of Vaporization: 73.71 kJ/mol; (21)Boiling Point: 473.8 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C2/C=C\C=C/C=C2/OS(=O)(=O)c1ccc(cc1)C
(2)InChI: InChI=1/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3
(3)InChIKey: AWUMFQREGHLKJB-UHFFFAOYAZ