CAS No.101691-65-0,(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulphonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101691-65-0
Name:	(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulphonate
Article Data:	26

Formula:	C₁₃H₁₈O₄S
Molecular Weight:	270.35
Synonyms:	2H-Pyran-4-methanol,tetrahydro-,4-methylbenzenesulfonate (9CI);(Tetrahydro-2H-pyran-4-yl)methyl4-methylbenzenesulfonate;Tetrahydropyran-4-ylmethyl tosylate;Toluene-4-sulfonic acid (tetrahydropyran-4-yl)methyl ester;
Density:	1.188 g/cm³
Boiling Point:	411.1 °C at 760 mmHg
Flash Point:	202.4 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
PSA:	60.98000
LogP:	3.20770

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Specification

The 2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate), with the CAS registry number 101691-65-0, is also known as (Tetrahydropyran-4-yl)methyl tosylate. It belongs to the product categories of Amines; Blocks. This chemical's molecular formula is C₁₃H₁₈O₄S and molecular weight is 270.34462. What's more, its systematic name is Tetrahydro-2H-pyran-4-ylmethyl 4-methylbenzenesulfonate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate) are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.23; (6)ACD/BCF (pH 7.4): 12.23; (7)ACD/KOC (pH 5.5): 208.97; (8)ACD/KOC (pH 7.4): 208.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.98 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 69.39 cm³; (15)Molar Volume: 227.3 cm³; (16)Polarizability: 27.51×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.188 g/cm³; (19)Flash Point: 202.4 °C; (20)Enthalpy of Vaporization: 63.77 kJ/mol; (21)Boiling Point: 411.1 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)S(=O)(=O)OCC2CCOCC2
(2) InChI: InChI=1/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H, 6-10H2,1H3
(3) InChIKey: DCBKCZSYJRZBDB-UHFFFAOYAU