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492-94-4,MFCD00003241
Catalog No.:AA003QMR

492-94-4 | Furil

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$34.00   $24.00
- +
5g
98%
in stock  
$95.00   $67.00
- +
25g
98%
in stock  
$344.00 $241.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QMR
Chemical Name:
Furil
CAS Number:
492-94-4
Molecular Formula:
C10H6O4
Molecular Weight:
190.1522
MDL Number:
MFCD00003241
SMILES:
O=C(C(=O)c1ccco1)c1ccco1
NSC Number:
5561
Properties
Properties
 
BP:
245.64°C (rough estimate)  
Form:
Solid  
MP:
163-165 °C(lit.)  
Refractive Index:
1.4440 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Synonyms
 
  
Literature

Title: Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.

Journal: Bioorganic & medicinal chemistry 20090101

Title: 1,2-Di-2-furylethane-1,2-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil.

Journal: Physical chemistry chemical physics : PCCP 20060421

Title: Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety.

Journal: Journal of medicinal chemistry 20050825

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Tags:492-94-4 Molecular Formula|492-94-4 MDL|492-94-4 SMILES|492-94-4 Furil
Catalog No.: AA003QMR
492-94-4,MFCD00003241
492-94-4 | Furil
Pack Size： 1g
Purity： 98%
in stock
$34.00 $24.00
Pack Size： 5g
Purity： 98%
in stock
$95.00 $67.00
Pack Size： 25g
Purity： 98%
in stock
$344.00 $241.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003QMR
Chemical Name: Furil
CAS Number: 492-94-4
Molecular Formula: C10H6O4
Molecular Weight: 190.1522
MDL Number: MFCD00003241
SMILES: O=C(C(=O)c1ccco1)c1ccco1
NSC Number: 5561
Properties
BP: 245.64°C (rough estimate)  
Form: Solid  
MP: 163-165 °C(lit.)  
Refractive Index: 1.4440 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 223  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
99:   
Literature fold

Title: Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis.

Journal: Bioorganic & medicinal chemistry20090101

Title: 1,2-Di-2-furylethane-1,2-dione.

Journal: Acta crystallographica. Section E, Structure reports online20080101

Title: Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil.

Journal: Physical chemistry chemical physics : PCCP20060421

Title: Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety.

Journal: Journal of medicinal chemistry20050825

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