3-Oxabicyclo(3.1.0)hexane-2,4-dione

3-OXABICYCLO[3.1.0]HEXANE-2 · 3-Oxabicyclo[3.1.]hexane-2,4-dione · 3-OXABICYCLO[3.1.0]HEXANE-2,4-DIONE · 3-oxydicyclo[3.1.0]hexane-2,4-dione · 3-Oxabicyclo[3.1.0]hexane-2,4-dione>3-Oxabicyclo[3.1.0]hexane-2,4-dione,98% · 1,2-CYCLOPROPANE DICARBOXYLIC ANHYDRIDE · 3-Oxabicyclo[3.1.0]hexane-2,4-dione, 97+% · CYCLOPROPANE-2,3 DICARBOXYLIC ACID ANHYDRIDE

https://huagongshe.com/de/chemical/2734721

Molekülstruktur von 3-Oxabicyclo(3.1.0)hexane-2,4-dione

Identifikatoren & physikalische Daten

CAS No.	5617-74-3
Summenformel	C5H4O3
Durchschnittliche Molmasse	112,08 g/mol
Monoisotopische Masse	112,01604399 g/mol
SMILES	O=C1OC(=O)C2CC12
InChIKey	ZRMYHUFDVLRYPN-UHFFFAOYSA-N
PubChem CID	2734721
EC No.	690-462-5
DTXSID	DTXSID70370464

Chemische & physikalische Eigenschaften

XLogP	-0,3
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	155
Schmelzpunkt	59-61 °C(lit.)
Siedepunkt	100-102 °C5 mm Hg(lit.)
Dichte	1.50
Brechungsindex	1.4630 (estimate)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	Powder, Crystals and/or Chunks
Farbe	White to off-white
InChI	InChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2
InChIKey	ZRMYHUFDVLRYPN-UHFFFAOYSA-N
SMILES	C12C(C1)C(=O)OC2=O
CAS Datenbank	5617-74-3

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	3
Zollcode	29329900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	37/39-26
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

3-Oxabicyclo[3.1.0]hexan-2,4-dione is used as a reagent in synthesis of several organic compounds including that of a newly discovered histamine H3 receptor inverse agonist that enhances short term memory. Also used in the synthesis of phthalazinone derivatives which act as topically active phosphodiesterase 4 inhibitors.