Phenylphosphonic acid

C6H7O3PCAS 1571-33-1158.09 g/mol

Open in Covalent MOL file
OPOHOH
Phosphonate

Properties

Molecular formula
C6H7O3P
Molar mass
158.09 g/mol
Exact mass
158.0133 Da
Melting point
163–166 °C
logP
0.49Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 201 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
1571-33-1
SMILES
O=P(O)(O)c1ccccc1
InChIKey
QLZHNIAADXEJJP-UHFFFAOYSA-N
InChI
InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Phosphonic acid, P-phenyl-
  • Phosphonic acid, phenyl-
  • P-Phenylphosphonic acid
  • Benzenephosphonic acid
  • Dihydrogen phenylphosphonate
  • NSC 145
  • PPA
  • Phenyl-1-phosphonic acid

Work with Phenylphosphonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diphenylphosphinic acid1707-03-557 % similar 4-Methoxyphenylphosphonic acid21778-19-850 % similar Triphenylphosphine oxide791-28-650 % similar P-(Hydroxymethyl)-P-phenylphosphinic acid61451-78-346 % similar Diphenylphosphinic chloride1499-21-444 % similar Methyldiphenylphosphine oxide2129-89-744 % similar Phenylphosphonic dichloride824-72-644 % similar Ethyldiphenylphosphine oxide1733-57-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook