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CAS No.: | 52340-78-0 |
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Name: | (R,R)-(+)-HYDROBENZOIN |
Article Data: | 545 |
Molecular Structure: | |
Formula: | C14H14O2 |
Molecular Weight: | 214.264 |
Synonyms: | (R,R)-1,2-Diphenyl-1,2-ethanediol;(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol;1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-; |
Density: | 1.193 g/cm3 |
Melting Point: | 146-149 °C(lit.) |
Boiling Point: | 373 °C at 760 mmHg |
Flash Point: | 179.8 °C |
Appearance: | white to beige or light brown crystalline powder |
Safety: | 22-24/25 |
PSA: | 40.46000 |
LogP: | 2.45360 |
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The (1R,2R)-(+)-Hydrobenzoin, with the CAS registry number 52340-78-0, is also known as 1,2-Ethanediol, 1,2-diphenyl-, (1R,2R)-. This chemical's molecular formula is C14H14O2 and molecular weight is 214.26. Its IUPAC name is called (1R,2R)-1,2-diphenylethane-1,2-diol. This chemical is white to beige or light brown crystalline powder. You should keep the bottle tightly closed. When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting it with skin and eyes.
Physical properties of (1R,2R)-(+)-Hydrobenzoin: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.624; (7)Molar Refractivity: 63.36 cm3; (8)Molar Volume: 179.4 cm3; (9)Surface Tension: 54.1 dyne/cm; (10)Density: 1.193 g/cm3; (11)Flash Point: 179.8 °C; (12)Enthalpy of Vaporization: 65.43 kJ/mol; (13)Boiling Point: 373 °C at 760 mmHg; (14)Vapour Pressure: 3.18E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by cis-1,2-diphenyl-ethene. This reaction will need reagent OsO4, K3Fe(CN)6, K2CO3 and solvent H2O, 2-methyl-propan-2-ol, toluene. In addition, it also need catalyst CH3SO2NH2, free cinchona alkaloid derivative. The reaction time is 24 hours with reaction temperature of 0 ℃. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O
(3)InChI: InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
(4)InChIKey: IHPDTPWNFBQHEB-ZIAGYGMSSA-N