Methylphosphonic acid

CH₅O₃PCAS 993-13-596.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₅O₃P
Molar mass: 96.02 g/mol
Exact mass: 95.9976 Da
Melting point: 108.5 °C
pKa: 2.12, 7.29
logP: -0.21Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed91.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage47.7% of notifiers

Aggregated from 86 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+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

993-13-5

SMILES

CP(=O)(O)O

InChIKey

YACKEPLHDIMKIO-UHFFFAOYSA-N

InChI

InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)

Weigh it out

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

Names and synonyms

7 names

Phosphonic acid, P-methyl-
Phosphonic acid, methyl-
P-Methylphosphonic acid
Methanephosphonic acid
Dihydrogen methylphosphonate
MPA
NSC 119358

Work with Methylphosphonic 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

Trimethylphosphine oxide676-96-031 % similar Phosphoric acid7664-38-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia