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(R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate

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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 Molecular Structure of 40434-87-5 ((R)-(-)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE) 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

(R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate Specification

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

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