Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate |
EINECS | 254-918-3 |
CAS No. | 40434-87-5 | Density | 1.274 g/cm3 |
PSA | 71.98000 | LogP | 3.51470 |
Solubility | N/A | Melting Point |
79-81°C |
Formula | C15H16O4S | Boiling Point | 480.6 °C at 760 mmHg |
Molecular Weight | 292.356 | Flash Point | 244.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Ethanediol,1-phenyl-, 2-(4-methylbenzenesulfonate), (R)-;(2R)-2-hydroxy-2-phenylethyl 4-methylbenzenesulfonate;1,2-ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate), (1R)-;(2R)-2-hydroxy-2-phenylethyl 4-methylbenzenesulfonate; |
Article Data | 30 |
The (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate, with the CAS registry number 40434-87-5 and EINECS registry number 254-918-3, has the systematic name of (2R)-2-hydroxy-2-phenylethyl 4-methylbenzenesulfonate. And the molecular formula of this chemical is C15H16O4S. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.61; (6)ACD/BCF (pH 7.4): 47.61; (7)ACD/KOC (pH 5.5): 552.7; (8)ACD/KOC (pH 7.4): 552.7; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 77.41 cm3; (15)Molar Volume: 229.3 cm3; (16)Polarizability: 30.69×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 244.5 °C; (20)Enthalpy of Vaporization: 78.49 kJ/mol; (21)Boiling Point: 480.6 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCC(O)c1ccccc1)c2ccc(cc2)C
(2)InChI: InChI=1/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
(3)InChIKey: IOTJIFRGXYQHAQ-UHFFFAOYAD