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42104-58-5,MFCD22200404
Catalog No.:AA00CLP7

42104-58-5 | o-Xylylenediphosphonic Acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$16.00   $12.00
- +
1g
98%
in stock  
$20.00   $14.00
- +
5g
98%
in stock  
$95.00   $67.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CLP7
Chemical Name:
o-Xylylenediphosphonic Acid
CAS Number:
42104-58-5
Molecular Formula:
C8H12O6P2
Molecular Weight:
266.1248
MDL Number:
MFCD22200404
SMILES:
OP(=O)(Cc1ccccc1CP(=O)(O)O)O
Properties
Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-2.1  

Downstream Synthesis Route

[1]Robinson,C.N.;Lewis,R.C.[JournalofHeterocyclicChemistry,1973,vol.10,p.395-397]

[1]Boehmer,Volker;Vogt,Walter;Chafaa,Salah;Meullemeestre,Jean;Schwing,Marie-Jose;Vierling,Francois[HelveticaChimicaActa,1993,vol.76,#1,p.139-149]

[1]Elumalai,Nagarajan;Berg,Angela;Natarajan,Kalaiselvi;Scharow,Andrej;Berg,Thorsten[AngewandteChemie-InternationalEdition,2015,vol.54,#16,p.4758-4763][Angew.Chem.,2015,vol.127,#16,p.4840-4845,6]

[2]Robinson,C.N.;Lewis,R.C.[JournalofHeterocyclicChemistry,1973,vol.10,p.395-397]

[1]Boehmer,Volker;Vogt,Walter;Chafaa,Salah;Meullemeestre,Jean;Schwing,Marie-Jose;Vierling,Francois[HelveticaChimicaActa,1993,vol.76,#1,p.139-149]

Literature
Quotation Request
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SDS
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Tags:42104-58-5 Molecular Formula|42104-58-5 MDL|42104-58-5 SMILES|42104-58-5 o-Xylylenediphosphonic Acid
Catalog No.: AA00CLP7
42104-58-5,MFCD22200404
42104-58-5 | o-Xylylenediphosphonic Acid
Pack Size： 250mg
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 1g
Purity： 98%
in stock
$20.00 $14.00
Pack Size： 5g
Purity： 98%
in stock
$95.00 $67.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CLP7
Chemical Name: o-Xylylenediphosphonic Acid
CAS Number: 42104-58-5
Molecular Formula: C8H12O6P2
Molecular Weight: 266.1248
MDL Number: MFCD22200404
SMILES: OP(=O)(Cc1ccccc1CP(=O)(O)O)O
Properties
Complexity: 287  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -2.1  
Downstream Synthesis Route
42104-58-5    20148-17-8 

[1]Robinson,C.N.;Lewis,R.C.[JournalofHeterocyclicChemistry,1973,vol.10,p.395-397]

144052-38-0    42104-58-5 

[1]Boehmer,Volker;Vogt,Walter;Chafaa,Salah;Meullemeestre,Jean;Schwing,Marie-Jose;Vierling,Francois[HelveticaChimicaActa,1993,vol.76,#1,p.139-149]

42092-05-7    42104-58-5 

[1]Elumalai,Nagarajan;Berg,Angela;Natarajan,Kalaiselvi;Scharow,Andrej;Berg,Thorsten[AngewandteChemie-InternationalEdition,2015,vol.54,#16,p.4758-4763][Angew.Chem.,2015,vol.127,#16,p.4840-4845,6]

[2]Robinson,C.N.;Lewis,R.C.[JournalofHeterocyclicChemistry,1973,vol.10,p.395-397]

612-14-6    42104-58-5 

[1]Boehmer,Volker;Vogt,Walter;Chafaa,Salah;Meullemeestre,Jean;Schwing,Marie-Jose;Vierling,Francois[HelveticaChimicaActa,1993,vol.76,#1,p.139-149]

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