CAS 64339-95-3 (3R,4R)-3,4-Bis(benzoyloxy)dihydro-2,5-furandione (HCID 2733743)

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Basic information

CAS: 64339-95-3
Standard SMILES: O=C(O[C@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
InChIKey: OXIKRMSPXYQFOT-ZIAGYGMSSA-N
Molecular formula: C18H12O7
Average molar mass: 340.3 g/mol
Monoisotopic mass: 340.05830272

Names & identifiers

Preferred name: (3R,4R)-3,4-Bis(benzoyloxy)dihydro-2,5-furandione
IUPAC: [(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoate
English name: (+)-Dibenzoyl-L-tartaric anhydride
Molecular formula: C18H12O7
Molecular weight: 340.28

Names & synonyms

64339-95-32,5-Furandione, 3,4-bis(benzoyloxy)dihydro-, (3R,4R)-DTXSID401233092(3R,4R)-3,4-Bis(benzoyloxy)dihydro-2,5-furandioneRefChem:401037DTXCID601664295690-767-3(+)-DIBENZOYL-L-TARTARIC ANHYDRIDE(3R,4R)-2,5-Dioxotetrahydrofuran-3,4-diyl dibenzoate[(3R,4R)-4-benzoyloxy-2,5-dioxooxolan-3-yl] benzoateMFCD00067102(3R,4R)-4-(BENZOYLOXY)-2,5-DIOXOOXOLAN-3-YL BENZOATE

Show more names

OXIKRMSPXYQFOT-ZIAGYGMSSA-N(+)-DIBENZOYL-L-TARTARICANHYDRIDEFampridine Impurity 173SCHEMBL637664AKOS024306960AS-93956SY507818CS-0128809

Database identifiers

CAS: 64339-95-3
PubChem CID: 2733743
DTXSID: DTXSID401233092
EC Number: 690-767-3
Nikkaji: J1.427.404I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 96 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 496

Physicochemical properties

Melting point: 174 °C · 174°C
Boiling point: 533.6 · 533.6±50.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 29321900 · 29321900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code: 29321900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses(3R,4R)-2,5-Dioxotetrahydrofuran-3,4-diyl Dibenzoate is a derivative compound of Di-O-benzoyl-D-tartaric Acid (D417325), which is a reagent used to produce chiral salts.