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4122-57-0,MFCD01652196
Catalog No.:AA00C8S3

4122-57-0 | 3-Methoxy-1(3h)-isobenzofuranone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$39.00   $28.00
- +
5g
>98.0%(GC)
in stock  
$179.00   $125.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C8S3
Chemical Name:
3-Methoxy-1(3h)-isobenzofuranone
CAS Number:
4122-57-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD01652196
SMILES:
COC1OC(=O)c2c1cccc2
NSC Number:
408564
Properties
Properties
 
BP:
295°C at 760 mmHg  
Form:
Solid  
MP:
45 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1  

Downstream Synthesis Route

[1]Kirpal;Zieger[ChemischeBerichte,1929,vol.62,p.2106]

[1]Gabriel[ChemischeBerichte,1916,vol.49,p.1612]

[2]Kirpal;Zieger[ChemischeBerichte,1929,vol.62,p.2106]

[3]Sloan,KennethB.;Koch,SuzanneA.M.[JournalofOrganicChemistry,1983,vol.48,#21,p.3777-3783]

[1]Racine[JustusLiebigsAnnalenderChemie,1887,vol.239,p.84][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1888,vol.106,p.949]

[2]Tatsugi,Jiro;Hara,Tomoaki;Izawa,Yasuji[ChemistryLetters,1997,#2,p.177-178]

[1]Horrom;Zaugg[JournaloftheAmericanChemicalSociety,1950,vol.72,p.721,722]

[1]Qu,Hemi;Chi,Chunyan[OrganicLetters,2010,vol.12,#15,p.3360-3363]

[2]Clerici,Angelo;Pastori,Nadia;Porta,Ombretta[Tetrahedron,1998,vol.54,#51,p.15679-15690]

[3]Gabriel[ChemischeBerichte,1916,vol.49,p.1612]v.Auwers;Heinze[ChemischeBerichte,1919,vol.52,p.595]Meyer[MonatsheftefurChemie,1904,vol.25,p.497]

[4]Gabriel[ChemischeBerichte,1916,vol.49,p.1612]v.Auwers;Heinze[ChemischeBerichte,1919,vol.52,p.595]Meyer[MonatsheftefurChemie,1904,vol.25,p.497]

[5]Meyer[MonatsheftefurChemie,1904,vol.25,p.497]

Literature
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SDS
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