(R,R)-Stilbene oxide

HCID 185583

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Basic information

CAS: 1439-07-2
Standard SMILES: c1ccc([C@H]2O[C@@H]2c2ccccc2)cc1
InChIKey: ARCJQKUWGAZPFX-ZIAGYGMSSA-N
Molecular formula: C14H12O
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.088815

Overview

R-trans-stilbene oxide is a trans-stilbene oxide. It is an enantiomer of a S-trans-stilbene oxide.

Names & identifiers

Preferred name: (R,R)-Stilbene oxide
IUPAC: (2R,3R)-2,3-diphenyloxirane
English name: trans-Stilbene oxide
Molecular formula: C14H12O
Molecular weight: 196.24

Names & synonyms

25144-18-7(R,R)-stilbene oxideOxirane, 2,3-diphenyl-, (2R,3R)-LIG187ZROD(+)-trans-Stilbene oxideStilbene oxide, (2R,3R)-trans-(2R,3R)-Stilbene oxide(+)-trans-2,3-Diphenyloxiranetrans-(2R,3R)-2,3-DiphenyloxiraneDTXSID301315411RefChem:1051119DTXCID101745321

Show more names

TSOtrans-Stibene oxideTRANS-2,3-DIPHENYLOXIRANEtrans-Stilbene oxide,99%rel-(2S,3S)-2,3-DiphenyloxiraneTRANS-STILBENOXIDErans-Stilbeneoxidetrans-Stilbene oxide

(2R,3R)-2,3-diphenyloxiraneR-trans-stilbene oxidetrans-1,2-Diphenyloxirane1,2-Diphenylethylene oxideOxirane,3-diphenyl-, trans-trans-1,2-Diphenylethylene oxideOxirane, 2,3-diphenyl-, trans-Bibenzyl,.alpha.'-epoxy-, trans-

Database identifiers

CAS: 1439-07-2、25144-18-7
PubChem CID: 185583
DTXSID: DTXSID301315411
ChEMBL: CHEMBL1743221
ChEBI: CHEBI:50008
UNII: LIG187ZROD
Nikkaji: J1.007C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 65 · 65-67 °C(lit.)
Boiling point: 273.14 °C · 273.14°C (rough estimate)
Density: 1.0405 · 1.0405 (rough estimate)
refractive index: 1.47 · 1.4700 (estimate)
storage temp.: 2 · 2-8°C
solubility: soluble in Toluene
form: Crystals
color: White
BRN: 82740 · 82740
InChI: 1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
InChIKey: ARCJQKUWGAZPFX-ZIAGYGMSSA-N
SMILES: O1[C@@H]([C@H]1c2ccccc2)c3ccccc3
CAS DataBase Reference: 1439 · 1439-07-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 GG17D822U · 1GG17D822U
EPA Substance Registry System: 2 · Oxirane, 2,3-diphenyl-, (2R,3R)-rel- (1439-07-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: F
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 4391500 · DT4391500
Hazard Note: Flammable
HS Code: 29109000 · 29109000
Storage Class: 11 · 11 - Combustible Solids