(1S,2S)-1,2-diphenylethane-1,2-diol
Basic information
- CAS
2325-10-2- Standard SMILES
O[C@@H](c1ccccc1)[C@@H](O)c1ccccc1- InChIKey
IHPDTPWNFBQHEB-KBPBESRZSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- (1S,2S)-1,2-diphenylethane-1,2-diol
- IUPAC
- (1S,2S)-1,2-diphenylethane-1,2-diol
- English name
- (S,S)-(-)-HYDROBENZOIN
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
(1S,2S)-1,2-diphenylethane-1,2-diolRefChem:393989811-455-7(S,S)-(-)-Hydrobenzoin2325-10-21,2-Ethanediol, 1,2-diphenyl-, (1S,2S)-(S,S)-hydrobenzoinHydrobenzoin, (-)-cis-1,2-Diphenylethane-1,2-diol655-48-1(-)-Hydrobenzoin(S,S)-(-)-1,2-Diphenyl-1,2-ethanediol
Show more names
(1S,2S)-(-)-1,2-DIPHENYL-1,2-ETHANEDIOL(S,S)-(-)-Hydrobenzoine(1S,2S)-(-)-HYDROBENZOIN(S,S)-(-)-Hydrobenzoin>(S,S)-(-)-Hydrobenzoin, 98+%(S,S)-(?)-Hydrobenzoin(S,S)-(-)-1,2-DIPHENYLETHANEDIOL(S,S)-1,2-DIPHENYL-1,2-ETHANEDIOL
(-)-DihydrobenzoinMFCD00064255IsohydrobenzoinDl-hydrobenzoin(+/-)-HydrobenzoinHydrobenzoin DL-formThreo-stilbene glycolHydrobenzoin, (+/-)-
Database identifiers
- CAS
2325-10-2、655-48-1- PubChem CID
- 853020
- DTXSID
DTXSID00357389- UNII
- UR8L8S2Y8M、WX45Q7714B
- EC Number
- 811-455-7
- Nikkaji
- J530.913A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 148 · 148-150 °C (lit.)
- Boiling point
- 314.4 °C · 314.4°C (rough estimate)
- alpha
- 20 · [α]D20 -90～-95° (c=2.5, C2H5OH)
- Density
- 1.0781 · 1.0781 (rough estimate)
- refractive index
- -95 ° · -95 ° (C=1, CHCl3)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.38 · 13.38±0.20(Predicted)
- form
- Crystals
- color
- White
- optical activity
- 24 · [α]24/D 94°, c = 2.5 in ethanol
- Merck
- 14 · 14,4777
- BRN
- 2330888 · 2330888
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses(S,S)-(-)-Hydrobenzoin is a chral auxiliary with versatile applications. It is also used as a building block.
General DescriptionChiral reagent.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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