(1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione
Grundinformationen
- CAS
67911-21-1- Standard-SMILES
CC1(C)C2C(=O)OC(=O)C21- InChIKey
QKAHKEDLPBJLFD-UHFFFAOYSA-N- Summenformel
- C7H8O3
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,04734412
Namen und Bezeichner
- Bevorzugter Name
- (1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione
- IUPAC
- 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
- Englischer Name
- Caronic anhydride
- Summenformel
- C7H8O3
- Molmasse
- 140.14
Namen und Synonyme
6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dioneEC 614-164-1(1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione(1R,5S)-6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dioneRefChem:393521614-164-1Caronic anhydride67911-21-1MFCD097511983-Oxabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-3,3-Dimethyl-1,2-cyclopropanedicarboxylic Anhydride
Weitere Namen anzeigen
aronicanhydrideCalderon anhydrideVanillin Impurity 4Caronic Anhydride >WIDELY Caronic anhydrideCaronic anhydride(Cas number:67911-21-1)6,6-Dimethyl-3-oxabicyclo[3.1.]hexane-2,4-dione6,6-Dimethyl-3-oxa-bicyclo[3.1.0]hexan-2,4-dione
DTXSID40438803STK504828C2596EN300-823696,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione; Caronic anhydrideSCHEMBL3381973QKAHKEDLPBJLFD-UHFFFAOYSA-NALBB-007822
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 207
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-57℃
- Siedepunkt
- 246 °C · 246°C
- Dichte
- 1.274 · 1.274
- Flammpunkt
- 113 °C · 113°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Solid
- Farbe
- White
- InChI
- InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
- InChIKey
- QKAHKEDLPBJLFD-UHFFFAOYSA-N
- SMILES
- C12C(C1(C)C)C(=O)OC2=O
- CAS Datenbank
- 67911 · 67911-21-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 07-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6035
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2914199090
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenCaronic anhydride, also known as 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione, is a pharmaceutical intermediate mainly used as a synthesis of Boceprevir, an oral protease inhibitor of hepatitis C. It is widely used in agricultural chemicals and other organic synthesis field.
Vor- und nachgelagerte Produkte
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
杭州言鼎生物医药科技有限公司18989469219 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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