methylphosphonic acid

• ChemBase ID: 138502
• Molecular Formular: CH5O3P
• Molecular Mass: 96.022361
• Monoisotopic Mass: 95.99763065
• SMILES: CP(=O)(O)O
• Canonical SMILES: CP(=O)(O)O
• InChI: InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
• InChIKey: YACKEPLHDIMKIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylphosphonic acid
• IUPAC Traditional name: methylphosphonic acid
• Synonyms: MPA; Methylphosphonic acid; Methanephosphonic acid; 甲基膦酸

Database IDs

• CAS Number: 993-13-5
• EC Number: 213-607-2
• MDL Number: MFCD00002137
• Beilstein Number: 1739372
• PubChem SID: 24883206; 162232757; 24857412
• PubChem CID: 13818

CALCULATED PROPERTIES

• Acid pKa: 1.8656996
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4937897
• LogD (pH = 7.4): -3.559766
• Log P: -1.2071625
• Molar Refractivity: 17.178 cm^3
• Polarizability: 7.038752 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-107°C; 105-107 °C; 105-107 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Pharmacology Properties

• Gene Information: human ... ALPP(250)

Product Information

• Purity: ≥98.0% (T); 98%
• Grade: purum
• Linear Formula: CH3P(O)(OH)2

DETAILS

Sigma Aldrich - 289868

Packaging
1, 5, 25 g in glass bottle