(R,R)-Hydrobenzoin

(1R,2R)-1,2-Diphenylethane-1,2-diol · (1R,2R)-(+)-1,2-DIPHENYL-1,2-ETHANEDIOL · (R,R)-(+)-Hydrobenzoin · (R,R)-(+)-Hydrobenzoine · (1R,2R)-(+)-HYDROBENZOIN · (αR,βR)-Bibenzyl-α,β-diol · (R,R)-(+)-Hydrobenzoin>(R,R)-(+)-Hydrobenzoin, 98+% · (R,R)-(+)-1,2-DIPHENYLETHANEDIOL

https://huagongshe.com/de/chemical/853019

Identifikatoren & physikalische Daten

CAS No.	52340-78-0
Summenformel	C14H14O2
Durchschnittliche Molmasse	214,26 g/mol
Monoisotopische Masse	214,09937969 g/mol
SMILES	O[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIKey	IHPDTPWNFBQHEB-ZIAGYGMSSA-N
PubChem CID	853019
ChEBI	CHEBI:50014
EC No.	810-277-7
DTXSID	DTXSID40357388

Chemische & physikalische Eigenschaften

XLogP	1,6
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	171
Physical Description	Solid
Schmelzpunkt	146-149 °C(lit.)
Siedepunkt	314.4°C (rough estimate)
Dichte	1.0781 (rough estimate)
Brechungsindex	95 ° (C=1, CHCl3)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Soluble in DMSO
Aggregatzustand	Crystalline Powder or Crystals
pKa (Säurekonstante)	13.38±0.20(Predicted)
Farbe	White to beige or light brown
Merck	14,4777
BRN	2050815
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
InChIKey	IHPDTPWNFBQHEB-ZIAGYGMSSA-N
SMILES	[C@H](C1=CC=CC=C1)(O)[C@@H](C1=CC=CC=C1)O
CAS Datenbank	52340-78-0(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (50%)
F	10
Wassergefährdungsklasse (WGK)	3
Zollcode	29062990
Sicherheitshinweise (S)	22-24/25
Lagerklasse	13 - Non Combustible Solids

Anwendungen & Verwendung

Verwenden

(R,R)-(+)-Hydrobenzoin may be used in the oxyselenenylation step in the multi-step synthesis of cyclopentitols and aminocyclopentitols from cyclopentene. It may also be used as a ligand for the asymmetric addition of diethylzinc to aldehydes in the presence or absence of titanium tetra-isopropoxide to form (R)- or (S)-form of the corresponding secondary alcohol, respectively.