2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate) supplier

Name
2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHYL 4-METHYLBENZENESULFONATE
EINECS
CAS No. 94709-25-8
Article Data2
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 71.5-73.5 °C
Formula C₁₆H₁₆O₄S
Boiling Point 465 °C at 760 mmHg
Molecular Weight 304.367
Flash Point 235 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzofuranmethanol,2,3-dihydro-, 4-methylbenzenesulfonate (9CI);2-Benzofuranmethanol, 2,3-dihydro-,p-toluenesulfonate (7CI);2-(Tosyloxy)methyl-2,3-dihydrobenzofuran;2,3-Dihydrobenzo[b]furan-2-ylmethyl 4-methylbenzenesulphonate;2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate;
PSA 60.98000
LogP 3.78480

2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate) Specification

The 2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate), with the CAS registry number 94709-25-8, is also known as 2,3-Dihydrobenzo[b]furan-2-ylmethyl 4-methylbenzenesulphonate. This chemical's molecular formula is C₁₆H₁₆O₄S and molecular weight is 304.36. What's more, its systematic name is 2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate.

Physical properties of 2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate) are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.42; (6)ACD/BCF (pH 7.4): 120.42; (7)ACD/KOC (pH 5.5): 1073.92; (8)ACD/KOC (pH 7.4): 1073.92; (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: 1.584; (14)Molar Refractivity: 80.2 cm³; (15)Molar Volume: 239.4 cm³; (16)Polarizability: 31.79×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 235 °C; (20)Enthalpy of Vaporization: 69.88 kJ/mol; (21)Boiling Point: 465 °C at 760 mmHg; (22)Vapour Pressure: 2.21E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)OCC2Cc3ccccc3O2
(2)InChI: InChI=1S/C16H16O4S/c1-12-6-8-15(9-7-12)21(17,18)19-11-14-10-13-4-2-3-5-16(13)20-14/h2-9,14H,10-11H2,1H3
(3)InChIKey: JQUXYELOVDQVSW-UHFFFAOYSA-N

Product Name

2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHYL 4-METHYLBENZENESULFONATE

2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate) Specification

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