(-)-Dibenzoyl-L-tartaric acid monohydrate

Base Information

• Chemical Name: (-)-Dibenzoyl-L-tartaric acid monohydrate
• CAS No.: 62708-56-9
• Molecular Formula: C18H14O8^.H2O
• Molecular Weight: 376.32
• Hs Code.: DERIVATION
• European Community (EC) Number: 613-072-9
• DSSTox Substance ID: DTXSID00978331
• Nikkaji Number: J2.229.727I
• Wikidata: Q72463567
• Mol file: 62708-56-9.mol

Synonyms:Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2R,3R)-;Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, [R-(R*,R*)]- (9CI);O,O'-Dibenzoyl-(2R,3R)-tartaric acid monohydrate;

Chemical Property of (-)-Dibenzoyl-L-tartaric acid monohydrate

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.45E-15mmHg at 25°C
• Melting Point: 88-89 °C(lit.)
• Refractive Index: -108.5 ° (C=1, EtOH)
• Boiling Point: 669.9 °C at 760 mmHg
• Flash Point: 358.9 °C
• PSA: 136.43000
• LogP: 1.54250
• Storage Temp.: Store below +30°C.
• Water Solubility.: SOLUBLE
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 356.05321734
• Heavy Atom Count: 26
• Complexity: 472

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

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

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-]
• 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-]
• Uses: (-)-Dibenzoyl-L-tartaric acid is used as an intermediate in pharmaceutical and agro chemical industries. It is used as chiral auxiliary in organic synthesis and as a resolution agent in the synthesis of rameleton.