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Name |
2-Benzofuranmethanol,2,3-dihydro-, 2-(4-methylbenzenesulfonate) |
EINECS | N/A |
CAS No. | 94709-25-8 | Density | 1.271 g/cm3 |
PSA | 60.98000 | LogP | 3.78480 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 2 |
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: 31.79×10-24 cm3; (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