ethenylphosphonic acid

• ChemBase ID: 140729
• Molecular Formular: C2H5O3P
• Molecular Mass: 108.033061
• Monoisotopic Mass: 107.99763065
• SMILES: C=CP(=O)(O)O
• Canonical SMILES: C=CP(=O)(O)O
• InChI: InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
• InChIKey: ZTWTYVWXUKTLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylphosphonic acid
• IUPAC Traditional name: vinylphosphonic acid
• Synonyms: Vinylphosphonic acid; 乙烯基膦酸

Database IDs

• CAS Number: 1746-03-8
• EC Number: 217-123-2
• MDL Number: MFCD00043866
• Beilstein Number: 1741622
• PubChem SID: 162234969; 24864665
• PubChem CID: 168725

CALCULATED PROPERTIES

• Acid pKa: 3.6832478
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3592973
• LogD (pH = 7.4): -2.9680243
• Log P: -0.65768725
• Molar Refractivity: 21.335 cm^3
• Polarizability: 8.551954 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 °C (Lit. dry VPA)(lit.)
• Flash Point: 113 °C; 235.4 °F; 242 °C; 467.6 °F
• Density: 1.37 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.473

Safety Information

• RTECS: SZ7903500
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2; UN 3265 8/PG 3

Product Information

• Purity: ≥90.0% (T); ≥95% (T); 97%
• Grade: technical
• Impurities: ≤7.0% water
• Linear Formula: CH2=CHP(O)(OH)2

DETAILS

Sigma Aldrich - 672068

Packaging
1 kg in poly bottle
2.5 kg in poly drum
250 g in poly bottle

Sigma Aldrich - 396311

Packaging
5, 25 g in glass bottle