Basic information
- CAS
1439-07-2- Standard SMILES
c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1- InChIKey
ARCJQKUWGAZPFX-KBPBESRZSA-N- Molecular formula
- C14H12O
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.088815
Overview
S-trans-stilbene oxide is a trans-stilbene oxide. It is an enantiomer of a R-trans-stilbene oxide.
Names & identifiers
- Preferred name
- trans-Stilbene oxide
- IUPAC
- (2S,3S)-2,3-diphenyloxirane
- English name
- 2,3-Diphenyl-oxirane
- Molecular formula
- C14H12O
- Molecular weight
- 196.24
Names & synonyms
trans-Stilbene oxide1439-07-2trans-2,3-Diphenyloxiranestilbene oxide, trans-trans-Stilbene epoxidetrans-alpha,alpha'-Epoxybibenzyl1GG17D822UDTXSID80891559NSC-40295NSC-100317Oxirane, 2,3-diphenyl-, (2R,3R)-rel-rel-(2R,3R)-2,3-diphenyloxirane
Show more names
2,3-Diphenyl-oxirane(S,S)-stilbene epoxide(2S)-2β,3α-Diphenyloxirane(2β,3α)-2,3-Diphenyloxirane(2S,3S)-2β,3α-DiphenyloxiraneOxirane, 2,3-diphenyl-, (2S,3S)-
RefChem:898912CHEBI:50005DTXCID901030657215-877-7(2S,3S)-2,3-diphenyloxiraneS-trans-stilbene oxide(S,S)-stilbene oxideD2L0AGD7AK
Database identifiers
- CAS
1439-07-2、40102-60-1- PubChem CID
- 91504
- DTXSID
DTXSID301045717- ChEBI
CHEBI:50009- UNII
- 1GG17D822U、D2L0AGD7AK
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionWhite crystals; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 66 · 66.0-67.0 °C
- Boiling point
- 304.5 · 304.5±11.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- FDA UNII
- 2 L0AGD7AK · D2L0AGD7AK
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 information
Hazards SummaryCauses other changes to liver and multiple enzyme effects in intraperitoneal toxic-dose study of mice (100 mg/kg); Similar effects observed in intraperitoneal rat studies at 393 mg/kg; [RTECS] May cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Additional notes
DefinitionChEBI: S-trans-stilbene oxide is a trans-stilbene oxide. It is an enantiomer of a R-trans-stilbene oxide.
Related reactions
3 records
Compound notes
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