bis({2-[(2-methylprop-2-enoyl)oxy]ethoxy})phosphinic acid

• ChemBase ID: 147439
• Molecular Formular: C12H19O8P
• Molecular Mass: 322.248221
• Monoisotopic Mass: 322.0817542
• SMILES: CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCOP(=O)(OCCOC(=O)C(=C)C)O
• InChI: InChI=1S/C12H19O8P/c1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4/h1,3,5-8H2,2,4H3,(H,15,16)
• InChIKey: NXBXJOWBDCQIHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis({2-[(2-methylprop-2-enoyl)oxy]ethoxy})phosphinic acid
• IUPAC Traditional name: bis{2-[(2-methylprop-2-enoyl)oxy]ethoxy}phosphinic acid
• Synonyms: Bis[2-(methacryloyloxy)ethyl] phosphate; 二[2-(甲基丙烯酰氧基)乙基]磷酸酯

Database IDs

• CAS Number: 32435-46-4
• EC Number: 251-040-2
• MDL Number: MFCD00128922
• PubChem SID: 162241627; 24873081
• PubChem CID: 122612

CALCULATED PROPERTIES

• Acid pKa: 1.8975755
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.34321868
• LogD (pH = 7.4): -0.3678573
• Log P: 2.008218
• Molar Refractivity: 72.5137 cm^3
• Polarizability: 29.24672 Å^3
• Polar Surface Area: 108.36 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 221 °C(lit.)
• Density: 1.28 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.47(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [H2C=C(CH3)CO2CH2CH2O]2P(O)OH

DETAILS

Sigma Aldrich - 496758

Packaging
100, 500 mL in poly bottle