ethylphosphonic acid

• ChemBase ID: 149676
• Molecular Formular: C2H7O3P
• Molecular Mass: 110.048941
• Monoisotopic Mass: 110.01328071
• SMILES: CCP(=O)(O)O
• Canonical SMILES: CCP(=O)(O)O
• InChI: InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
• InChIKey: GATNOFPXSDHULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylphosphonic acid
• IUPAC Traditional name: ethylphosphonic acid
• Synonyms: Ethylphosphonic acid; Ethanephosphonic acid; 乙基磷酸

Database IDs

• CAS Number: 6779-09-5
• EC Number: 229-839-2
• MDL Number: MFCD00002141
• Beilstein Number: 1743032
• PubChem SID: 162243839; 24857413
• PubChem CID: 204482

CALCULATED PROPERTIES

• Acid pKa: 1.8151855
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.119756
• LogD (pH = 7.4): -3.1881628
• Log P: -0.8309317
• Molar Refractivity: 22.0504 cm^3
• Polarizability: 8.809324 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-62°C; 61-63 °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: 34
• Safety Statements: 26-27-28-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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

Product Information

• Purity: 98%; 98+%
• Linear Formula: C2H5P(O)(OH)2

DETAILS

Sigma Aldrich - 289876

Packaging
1, 5 g in glass bottle