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4671-77-6,MFCD01631212
Catalog No.:AA00D7VA

4671-77-6 | 1,4-Butanediphosphonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$56.00   $39.00
- +
1g
98%
in stock  
$58.00   $41.00
- +
5g
98%
in stock  
$287.00   $201.00
- +
10g
98%
in stock  
$573.00   $401.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D7VA
Chemical Name:
1,4-Butanediphosphonic acid
CAS Number:
4671-77-6
Molecular Formula:
C4H12O6P2
Molecular Weight:
218.0820
MDL Number:
MFCD01631212
SMILES:
OP(=O)(CCCCP(=O)(O)O)O
Properties
Properties
 
Form:
Solid  
MP:
219-221 °C  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-2.7  

Downstream Synthesis Route

[1]Schwarzenbach;Zurc[MonatsheftefurChemie,1950,vol.81,p.202,206]

[2]Kosolapoff,G.M.;Brown,A.D.[JournaloftheChemicalSocietyC:Organic,1966,p.757-759]

[3]Tian,Tao;Yang,Weiting;Wang,Hao;Dang,Song;Sun,Zhong-Ming[InorganicChemistry,2013,vol.52,#15,p.8288-8290]

[1]Maier,L.[HelveticaChimicaActa,1965,vol.48,p.133-142]

1,4-butanediphosphonousacid 
  4671-77-6 

[1]Sander,M.[ChemischeBerichte,1962,vol.95,p.473-482]

2917-47-7    4671-77-6   
di-3-(trimethylsilyl)-1-propylenebutylenediphosphonicacid 

[1]Griffith-Dzielawa,JulieA.;BarransJr.,RichardE.;McAlister,DanielR.;Dietz,MarkL.;Herlinger,AlbertW.[SyntheticCommunications,2000,vol.30,#12,p.2121-2132]

Literature

Title: Ethylene diamine tetramethylene phosphonic acid labeled with various β(-)-emitting radiometals: labeling optimization and animal biodistribution.

Journal: Cancer biotherapy & radiopharmaceuticals 20110401

Title: Studies on the development of 99mTc-labeled biphosphonate alginate beads.

Journal: Hellenic journal of nuclear medicine 20100101

Title: 175Yb labeled polyaminophosphonates as potential agents for bone pain palliation.

Journal: Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20040501

Title: An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562

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SDS
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Tags:4671-77-6 Molecular Formula|4671-77-6 MDL|4671-77-6 SMILES|4671-77-6 1,4-Butanediphosphonic acid
Catalog No.: AA00D7VA
4671-77-6,MFCD01631212
4671-77-6 | 1,4-Butanediphosphonic acid
Pack Size： 250mg
Purity： 95%
in stock
$56.00 $39.00
Pack Size： 1g
Purity： 98%
in stock
$58.00 $41.00
Pack Size： 5g
Purity： 98%
in stock
$287.00 $201.00
Pack Size： 10g
Purity： 98%
in stock
$573.00 $401.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D7VA
Chemical Name: 1,4-Butanediphosphonic acid
CAS Number: 4671-77-6
Molecular Formula: C4H12O6P2
Molecular Weight: 218.0820
MDL Number: MFCD01631212
SMILES: OP(=O)(CCCCP(=O)(O)O)O
Properties
Form: Solid  
MP: 219-221 °C  
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -2.7  
Downstream Synthesis Route
7203-67-0    4671-77-6 

[1]Schwarzenbach;Zurc[MonatsheftefurChemie,1950,vol.81,p.202,206]

[2]Kosolapoff,G.M.;Brown,A.D.[JournaloftheChemicalSocietyC:Organic,1966,p.757-759]

[3]Tian,Tao;Yang,Weiting;Wang,Hao;Dang,Song;Sun,Zhong-Ming[InorganicChemistry,2013,vol.52,#15,p.8288-8290]

4671-77-6    7203-67-0    1660-97-5 

[1]Maier,L.[HelveticaChimicaActa,1965,vol.48,p.133-142]

1,4-butanediphosphonousacid 
  4671-77-6 

[1]Sander,M.[ChemischeBerichte,1962,vol.95,p.473-482]

2917-47-7    4671-77-6   
di-3-(trimethylsilyl)-1-propylenebutylenediphosphonicacid 

[1]Griffith-Dzielawa,JulieA.;BarransJr.,RichardE.;McAlister,DanielR.;Dietz,MarkL.;Herlinger,AlbertW.[SyntheticCommunications,2000,vol.30,#12,p.2121-2132]

Literature fold

Title: Ethylene diamine tetramethylene phosphonic acid labeled with various β(-)-emitting radiometals: labeling optimization and animal biodistribution.

Journal: Cancer biotherapy & radiopharmaceuticals20110401

Title: Studies on the development of 99mTc-labeled biphosphonate alginate beads.

Journal: Hellenic journal of nuclear medicine20100101

Title: 175Yb labeled polyaminophosphonates as potential agents for bone pain palliation.

Journal: Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine20040501

Title: An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562

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