[4-(4-Phosphonophenyl)phenyl]phosphonic acid

Base Information

• Chemical Name: [4-(4-Phosphonophenyl)phenyl]phosphonic acid
• CAS No.: 13817-79-3
• Molecular Formula: C₁₂H₁₂O₆P₂
• Molecular Weight: 314.171
• Hs Code.: 2931900090
• NSC Number: 129448
• DSSTox Substance ID: DTXSID10299327
• Nikkaji Number: J1.225.695G
• Wikidata: Q82041652
• Mol file: 13817-79-3.mol

Synonyms:[4-(4-phosphonophenyl)phenyl]phosphonic acid;13817-79-3;biphenyl-4,4'-diphosphonic acid;biphenyl-4,4'-diylbis(phosphonic acid);Phosphonic acid, P,P'-[1,1'-biphenyl]-4,4'-diylbis-;4,4'-biphenylenebisphosphonic acid;NSC129448;4,4'-biphenyldiphosphonic acid;biphenyl-4,4-diphosphonic acid;SCHEMBL4953765;YSZC1234;4,4'-biphenyl-diphosphonic acid;DTXSID10299327;QWSZMKCGMDROKE-UHFFFAOYSA-N;4,4'-(biphenyl) diphosphonic acid;AMY28664;4,4-biphenylenebis(phosphonic acid);BBL103238;MFCD00968649;STL557048;AKOS017345056;NSC-129448;CS-0182998;[1,1'-Biphenyl]-4,4'-diylbis(phosphonic acid);10.14272/QWSZMKCGMDROKE-UHFFFAOYSA-N.1;doi:10.14272/QWSZMKCGMDROKE-UHFFFAOYSA-N.1

Chemical Property of [4-(4-Phosphonophenyl)phenyl]phosphonic acid

Chemical Property:

• Vapor Pressure: 5.68E-17mmHg at 25°C
• Melting Point: >300 °C
• Boiling Point: 634.5°Cat760mmHg
• PKA: 1.47±0.10(Predicted)
• Flash Point: 337.5°C
• PSA: 134.68000
• Density: 1.64g/cm³
• LogP: 0.95960
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.01091209
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

97% ^*data from raw suppliers

4,4''-biphenylenebisphosphonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O

Technology Process of [4-(4-Phosphonophenyl)phenyl]phosphonic acid

There total 7 articles about [4-(4-Phosphonophenyl)phenyl]phosphonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

C16H20O6P2 → 4,4'-biphenylenebis(phosphonic acid) (13817-79-3)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 12h;

DOI:10.1039/d2ra00094f

Reference yield: 100.0%

C24H44O6P2Si4 → 4,4'-biphenylenebis(phosphonic acid) (13817-79-3)

Guidance literature:

With methanol; for 24h; Ambient temperature;

DOI:10.1007/BF00863831

Reference yield: 95.0%

tetraethyl biphenyl-4,4'-diphosphonate (28036-07-9) → 4,4'-biphenylenebis(phosphonic acid) (13817-79-3)

Guidance literature:

With trimethylsilyl bromide; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/jccs.201000078

upstream raw materials:

4-bromophenylphosphonic acid

tetraethyl biphenyl-4,4'-diphosphonate

4-(4-bromophenyl)bromobenzene

Refernces

• 1、 Freedman. "-". . p. 6223. Retrieved 1955.
• 2、 Br?se, Stefan,Hassan, Zahid,Nieger, Martin,O?wald, Simon,Zippel, Christoph. "C-P bond formation of cyclophanyl-, and aryl halides: Via a UV-induced photo Arbuzov reaction: A versatile portal to phosphonate-grafted scaffolds". . p. 3309 - 3312. Retrieved 2022/02/11.
• 3、 Lo, Chih-Yuan,Chen, Chih-Hsien,Tsai, Tim W. T.,Zhang, Long,Lim, Tsong-Shin,Fann, Wunshain,Chan, Jerry C. C.,Luh, Tien-Yau. "Efficient energy and electron transfer between donor and acceptor chromophores in aluminophosphate hybrid materials". experimental part. p. 539 - 546. Retrieved 2011/04/22.