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4546-06-9,MFCD05663703
Catalog No.:AA00I8FQ

4546-06-9 | Phosphonic acid, [1,4-phenylenebis(methylene)]bis-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>97.0%(T)(HPLC)
in stock  
$188.00   $132.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I8FQ
Chemical Name:
Phosphonic acid, [1,4-phenylenebis(methylene)]bis-
CAS Number:
4546-06-9
Molecular Formula:
C8H12O6P2
Molecular Weight:
266.1248
MDL Number:
MFCD05663703
SMILES:
OP(=O)(Cc1ccc(cc1)CP(=O)(O)O)O
Properties
Computed Properties
 
Complexity:
279  
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]Vilela,SergioM.F.;Mendes,RicardoF.;Silva,Patricia;Fernandes,JoseA.;Tome,JoaoP.C.;Paz,FilipeA.Almeida[CrystalGrowthandDesign,2013,vol.13,#2,p.543-560]

[2]Locationinpatent:experimentalpartPramanik,Malay;Nandi,Mahasweta;Uyama,Hiroshi;Bhaumik,Asim[GreenChemistry,2012,vol.14,#8,p.2273-2281]

[3]Caplan,NeilA.;Pogson,ChristopherI.;Hayes,DavidJ.;Blackburn,G.Michael[JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,#3,p.421-437]

[4]Lugowkin;Arbusow[DokladyAkademiiNaukSSSR,1948,vol.59,p.1301,1302,1303][Chem.Abstr.,1948,p.7265]

[5]Mayer,CedricR.;Herve,Maryline;Lavanant,Helene;Blais,Jean-Claude;Secheresse,Francis[EuropeanJournalofInorganicChemistry,2004,#5,p.973-977]

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

[1]Mayer,CedricR.;Herve,Maryline;Lavanant,Helene;Blais,Jean-Claude;Secheresse,Francis[EuropeanJournalofInorganicChemistry,2004,#5,p.973-977]

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

[1]Caplan,NeilA.;Pogson,ChristopherI.;Hayes,DavidJ.;Blackburn,G.Michael[JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,#3,p.421-437]

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

Literature

Title: Synthesis and characterization of four metal-organophosphonates with one-, two-, and three-dimensional structures.

Journal: Inorganic chemistry 20070625

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Tags:4546-06-9 Molecular Formula|4546-06-9 MDL|4546-06-9 SMILES|4546-06-9 Phosphonic acid, [1,4-phenylenebis(methylene)]bis-
Catalog No.: AA00I8FQ
4546-06-9,MFCD05663703
4546-06-9 | Phosphonic acid, [1,4-phenylenebis(methylene)]bis-
Pack Size： 1g
Purity： >97.0%(T)(HPLC)
in stock
$188.00 $132.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I8FQ
Chemical Name: Phosphonic acid, [1,4-phenylenebis(methylene)]bis-
CAS Number: 4546-06-9
Molecular Formula: C8H12O6P2
Molecular Weight: 266.1248
MDL Number: MFCD05663703
SMILES: OP(=O)(Cc1ccc(cc1)CP(=O)(O)O)O
Properties
Complexity: 279  
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
4546-04-7    4546-06-9 

[1]Vilela,SergioM.F.;Mendes,RicardoF.;Silva,Patricia;Fernandes,JoseA.;Tome,JoaoP.C.;Paz,FilipeA.Almeida[CrystalGrowthandDesign,2013,vol.13,#2,p.543-560]

[2]Locationinpatent:experimentalpartPramanik,Malay;Nandi,Mahasweta;Uyama,Hiroshi;Bhaumik,Asim[GreenChemistry,2012,vol.14,#8,p.2273-2281]

[3]Caplan,NeilA.;Pogson,ChristopherI.;Hayes,DavidJ.;Blackburn,G.Michael[JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,#3,p.421-437]

[4]Lugowkin;Arbusow[DokladyAkademiiNaukSSSR,1948,vol.59,p.1301,1302,1303][Chem.Abstr.,1948,p.7265]

[5]Mayer,CedricR.;Herve,Maryline;Lavanant,Helene;Blais,Jean-Claude;Secheresse,Francis[EuropeanJournalofInorganicChemistry,2004,#5,p.973-977]

52577-04-5    4546-06-9 

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

623-24-5    4546-06-9 

[1]Mayer,CedricR.;Herve,Maryline;Lavanant,Helene;Blais,Jean-Claude;Secheresse,Francis[EuropeanJournalofInorganicChemistry,2004,#5,p.973-977]

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

623-24-5    4546-06-9 

[1]Caplan,NeilA.;Pogson,ChristopherI.;Hayes,DavidJ.;Blackburn,G.Michael[JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,#3,p.421-437]

589-29-7    4546-06-9 

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

Literature fold

Title: Synthesis and characterization of four metal-organophosphonates with one-, two-, and three-dimensional structures.

Journal: Inorganic chemistry20070625

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