(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate

Base Information

• Chemical Name: (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate
• CAS No.: 80822-15-7
• Molecular Formula: C18H14O8^.H2O
• Molecular Weight: 376.32
• Hs Code.: 29181990
• UNII: 9VP4TD9RNQ
• DSSTox Substance ID: DTXSID401001540
• Mol file: 80822-15-7.mol

Synonyms:80822-15-7;(2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate;(+)-Dibenzoyl-D-tartaric acid monohydrate;dibenzoyl-d-(+)-tartaric acid monohydrate;(2S,3S)-2,3-dibenzoyloxybutanedioic acid;hydrate;MFCD00150722;o,o'-dibenzoyl d-tartaric acid monohydrate;dibenzoyl-d-tartaric acid monohydrate;d-dbta;Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-;9VP4TD9RNQ;SCHEMBL2859440;DXDIHODZARUBLA-IODNYQNNSA-N;DTXSID401001540;Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-;Dibenzoyl D-tartaric acid monohydrate;AKOS015888114;AM81403;CS-W009757;AS-12428;d-(+)-dibenzoyl tartaric acid monohydrate;D-(+)-Dibenzoyl tartaric acid ester monohydrate;2,3-Bis(benzoyloxy)butanedioic acid--water (1/1)

Chemical Property of (2S,3S)-2,3-Bis(benzoyloxy)succinic acid hydrate

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.45E-15mmHg at 25°C
• Melting Point: 150-153 °C
• Refractive Index: 109 ° (C=1, EtOH)
• Boiling Point: 606.6 °C at 760 mmHg
• Flash Point: 221.8 °C
• PSA: 136.43000
• LogP: 1.54250
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Soluble), Ethanol (Slightly, Sonicated), Methanol (Sparingly)
• Water Solubility.: Soluble in methanol. Slightly soluble in water.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 376.07943208
• Heavy Atom Count: 27
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

(+)-Dibenzoyl-D-tartaric Acid Monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.O
• Uses: (+)-Dibenzoyl-D-tartaric acid monohydrate is used as a chiral separation and racemization agent for amines. It is also used as a pharmaceutical raw material.