Phenylphosphonic acid

• CAS: 1571-33-1
• Catalog Number: ACM1571331
• Category: Micro/NanoElectronics
• Molecular Weight: 158.09g/mol
• Molecular Formula: C6H7O3P
• Synonyms: Benzolphosphonsαure;Dihydrogenphenylphosphonate;phenyl-phosphonicaci;Phosphonicacid,phenyl-;PPOA;PHOSPHORIC ACID PHENYL ESTER DICHLORIDE;PHENYL PHOSPHODICHLORIDATE;PHENYLPHOSPHONIC ACID
• IUPAC Name: phenylphosphonic acid
• Canonical SMILES: C1=CC=C(C=C1)P(=O)(O)O
• InChI: InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
• InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N
• Melting Point: 164.5 °C
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• EC Number: 216-388-1
• Exact Mass: 158.013281g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 10
• LogP: 0.54 (LogP)
• Monoisotopic Mass: 158.013281g/mol
• NSC Number: 145
• Rotatable Bond Count: 1
• RTECS Number: TA0350000
• UNII: BYD76T2868
• XLogP3: 0.5

Synthetic Use

Upstream Synthesis Route 1

• 917838-66-5

• 295-37-4
• 1571-33-1

Reference: [1] Collection of Czechoslovak Chemical Communications, 2006, vol. 71, # 3, p. 337 - 367

Upstream Synthesis Route 2

• 1754-49-0

• 1571-33-1

Reference: [1]Phosphorus, Sulfur and Silicon and the Related Elements,2004,vol. 179,p. 1509 - 1516
[2]Synthetic Communications,2019,vol. 49,p. 2642 - 2650
[3]Chemische Berichte,1961,vol. 94,p. 996 - 1007

Upstream Synthesis Route 3

• 2240-41-7

• 1571-33-1

Reference: [1]Tetrahedron Letters,1992,vol. 33,p. 7473 - 7474
[2]Liebigs Annalen der Chemie,1981,p. 943 - 966
[3]Journal of Organic Chemistry,2015,vol. 80,p. 9774 - 9780

Downstream Synthesis Route 1

• 1571-33-1

• 824-72-6

Reference: [1]Journal of the American Chemical Society,1954,vol. 76,p. 1045,1047, 1051
Journal of the American Chemical Society,1956,vol. 78,p. 5018,5022
[2]Journal of the American Chemical Society,1954,vol. 76,p. 1045,1047, 1051
Journal of the American Chemical Society,1956,vol. 78,p. 5018,5022
[3]Zeitschrift fur Chemie,1984,vol. 24,p. 135 - 137
[4]Recueil des Travaux Chimiques des Pays-Bas,1922,vol. 41,p. 471

* For details of the synthesis route, please refer to the original source to ensure accuracy.