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5463-50-3,MFCD00094951
Catalog No.:AA00D8UR

5463-50-3 | 4,7-Dimethylisobenzofuran-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$90.00   $63.00
- +
250mg
97%
in stock  
$134.00   $94.00
- +
1g
97%
in stock  
$332.00   $233.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8UR
Chemical Name:
4,7-Dimethylisobenzofuran-1,3-dione
CAS Number:
5463-50-3
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00094951
SMILES:
O=C1OC(=O)c2c1c(C)ccc2C
NSC Number:
16057
Properties
Properties
 
Form:
Solid  
MP:
141 - 142°C  
Storage:
Keep in dry area;-20 ℃;Inert atmosphere;  

Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route
5463-50-3    533-73-3   
1,2,4-trihydroxy-5,8-dimethyl-anthraquinone 

[1]Mayer;Stark[ChemischeBerichte,1931,vol.64,p.2003,2007]Stark,O.[Diss.<Frankfurt1930>S.58]

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

5463-50-3   
phenylmagnesiumbromide 
  2346-61-4 

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

[1]Kotha,Sambasivarao;Stoodley,RichardJ.[BioorganicandMedicinalChemistry,2002,vol.10,#3,p.621-624]

[2]Mayer;Stark[ChemischeBerichte,1931,vol.64,p.2003,2007]

Literature

Title: 3,6-Dimethyl-o-phenyl-enedimethanol.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

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SDS
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Tags:5463-50-3 Molecular Formula|5463-50-3 MDL|5463-50-3 SMILES|5463-50-3 4,7-Dimethylisobenzofuran-1,3-dione
Catalog No.: AA00D8UR
5463-50-3,MFCD00094951
5463-50-3 | 4,7-Dimethylisobenzofuran-1,3-dione
Pack Size： 100mg
Purity： 97%
in stock
$90.00 $63.00
Pack Size： 250mg
Purity： 97%
in stock
$134.00 $94.00
Pack Size： 1g
Purity： 97%
in stock
$332.00 $233.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00D8UR
Chemical Name: 4,7-Dimethylisobenzofuran-1,3-dione
CAS Number: 5463-50-3
Molecular Formula: C10H8O3
Molecular Weight: 176.1687
MDL Number: MFCD00094951
SMILES: O=C1OC(=O)c2c1c(C)ccc2C
NSC Number: 16057
Properties
Form: Solid  
MP: 141 - 142°C  
Storage: Keep in dry area;-20 ℃;Inert atmosphere;  
Complexity: 233  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
5463-50-3    533-73-3   
1,2,4-trihydroxy-5,8-dimethyl-anthraquinone 

[1]Mayer;Stark[ChemischeBerichte,1931,vol.64,p.2003,2007]Stark,O.[Diss.<Frankfurt1930>S.58]

5463-50-3    34589-46-3    2346-65-8 

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

5463-50-3   
phenylmagnesiumbromide 
  2346-61-4 

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

5463-50-3    108-38-3    2346-65-8 

[1]Newman;Lord[JournaloftheAmericanChemicalSociety,1944,vol.66,p.733]

5463-50-3    123-31-9    170685-35-5 

[1]Kotha,Sambasivarao;Stoodley,RichardJ.[BioorganicandMedicinalChemistry,2002,vol.10,#3,p.621-624]

[2]Mayer;Stark[ChemischeBerichte,1931,vol.64,p.2003,2007]

Literature fold

Title: 3,6-Dimethyl-o-phenyl-enedimethanol.

Journal: Acta crystallographica. Section E, Structure reports online20100101

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