CAS No.40434-87-5,(R)-(-)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40434-87-5
Name:	(R)-(-)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE
Article Data:	30

Formula:	C₁₅H₁₆O₄S
Molecular Weight:	292.356
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;
EINECS:	254-918-3
Density:	1.274 g/cm³
Melting Point:	79-81°C
Boiling Point:	480.6 °C at 760 mmHg
Flash Point:	244.5 °C
Safety:	22-24/25
PSA:	71.98000
LogP:	3.51470

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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