Grundinformationen
- CAS
2743-38-6- Standard-SMILES
O.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1- InChIKey
DXDIHODZARUBLA-UHFFFAOYSA-N- Summenformel
- C18H16O9
- Durchschnittliche Molmasse
- 376,3 g/mol
- Monoisotopische Masse
- 376,07943208
Namen und Bezeichner
- Bevorzugter Name
- Dibenzoyl-L-tartaric acid monohydrate
- IUPAC
- 2,3-dibenzoyloxybutanedioic acid;hydrate
- Lokaler Name
- dibenzoyl-L-weinsuremonohydrat
- Englischer Name
- Dibenzoyl-L-tartaric acid
- Summenformel
- C18H14O8
- Molmasse
- 358.3
Namen und Synonyme
Dibenzoyl-L-tartaric acid monohydrateRefChem:586421(-)-DIBENZOYL-L-TARTARIC ACID MONOHYDRATE(-)-O,O-Dibenzoyl-L-tartaric acid monohydrate(2r,3r)-(-)-dibenzoyl-l-tartaric acid monohydrate(2R,3R)-2,3-bis(benzoyloxy)butanedioic acid hydrateDibenzoyl-L-(-)-tartaric acid monohydrateSCHEMBL365251DXDIHODZARUBLA-UHFFFAOYSA-NAKOS015889279AC-34262,3-dibenzoyloxybutanedioic acid;hydrate
Weitere Namen anzeigen
(-)-Dibenzoyl-L-tartaric AcidDibenzoyl-L-tartaricL-(-)-DIBENZOYL TARTARIC ACIDl(-)-dibenzoyl-l-tartaric acid(-)-2,3-dibenzoyl-l-tartaric acidO,O'-Dibenzoyl-L-Tartaric Acid Anhydrous(2R,3R)-2,3-Bis(benzoyloxy)butanedioic acid6160/12/9NSC 118224NSC 338494
AS-12420DB-016137DB-017855ST50826299(-)-2,3-dibenzoyl-l-tartaric acid monohydrateD-14602,3-diphenylcarbonyloxybutanedioic acid, hydrate(+)-O,O-Dibenzoyl-D-tartaric acid monohydrate; 2,3-Di-O-benzoyl-D-tartaric acid hydrate
Datenbank-Bezeichner
- CAS
2743-38-6- PubChem CID
- 2723865
- EC Number
- 220-374-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 128 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 483
Physikochemische Eigenschaften
- Schmelzpunkt
- 152 · 152-155 °C(lit.)
- Siedepunkt
- 234 °C · 234 °C / 7mmHg
- Dichte
- 1.3806 · 1.3806 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- -116 ° · -116 ° (C=1, EtOH)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- pka
- 1.85 · 1.85±0.25(Predicted)
- Aggregatzustand
- Solid or Crystalline Powder
- Farbe
- Off-white to orange to pale brown
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 709854 · 709854
- InChI
- 1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
- InChIKey
- YONLFQNRGZXBBF-ZIAGYGMSSA-N
- SMILES
- OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)C(O)=O
- LogP
- 1.01 at · 1.01 at 20℃
- CAS Datenbank
- 2743 · 2743-38-6(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)- (2743-38-6)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (2 of 219) of reports.
Danger
H317 (24.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 219 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: Dibenzoyl-L-tartaric acid monohydrate (EC: 220-374-0)
Hazard Classes and CategoriesSkin Sens. 1 (24.7%)
Sicherheitsdaten
- F
- 3-9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29181990
- RTECS-Nr.
- WW8070000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Sens. 1
Chemie und Industrie
Anwendungen
BeschreibungDibenzoyl-L-tartaric acid is a kind of white crystalline powder, and odorless, mildly bitter flavor, be slightly soluble in water, and pH value is 3-4, in acid, dissolves in ethanol and acetone and other organic solvent. Be widely used in chiral separation of racemic amine compounds. Because it is cheap, has stable properties, and is easy to recycle, it has good industrial application value.
Verwenden(-)-Dibenzoyl-L-tartaric acid, anhydrous is used as a reagent used to produce chiral salts. Also used as organic chemical synthesis intermediate.
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