sodium 3-(trihydroxysilyl)propyl methylphosphonate

• ChemBase ID: 137490
• Molecular Formular: C4H12NaO6PSi
• Molecular Mass: 238.183511
• Monoisotopic Mass: 238.00384555
• SMILES: CP(=O)([O-])OCCC[Si](O)(O)O.[Na+]
• Canonical SMILES: O[Si](CCCOP(=O)(C)[O-])(O)O.[Na+]
• InChI: InChI=1S/C4H13O6PSi.Na/c1-11(5,6)10-3-2-4-12(7,8)9;/h7-9H,2-4H2,1H3,(H,5,6);/q;+1/p-1
• InChIKey: MKAWPVONNWUREJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 3-(trihydroxysilyl)propyl methylphosphonate
• IUPAC Traditional name: sodium 3-(trihydroxysilyl)propyl methylphosphonate
• Synonyms: Dow Corning® product Q1-6083; 3-(Trihydroxysilyl)propyl methylphosphonate, monosodium salt solution; Dow Corning® 产品 Q1-6083; 3-(三羟基甲硅烷基)丙基甲基膦酸,单钠盐 溶液

Database IDs

• CAS Number: 84962-98-1
• EC Number: 284-799-3
• MDL Number: MFCD00274617
• PubChem SID: 162231752; 24867253
• PubChem CID: 4385787

CALCULATED PROPERTIES

• Acid pKa: 1.982506
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.608973
• LogD (pH = 7.4): -4.632523
• Log P: -2.3686
• Molar Refractivity: 36.5779 cm^3
• Polarizability: 17.592451 Å^3
• Polar Surface Area: 110.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 174.2 °F; 79 °C
• Density: 1.252 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-68/20/21/22
• Safety Statements: 36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H371
• GHS Precautionary statements: P260-P305 + P351 + P338

Product Information

• Concentration: 50 wt. % in H2O
• Impurities: 3 wt. % other silane-based salts; 4 wt. % methyl alcohol; 5 wt. % sodium methyl methylphosphonate
• Linear Formula: CH3P(O)(ONa)O(CH2)3Si(OH)3

DETAILS

Sigma Aldrich - 435716

Packaging
100 mL in Sure/Seal™
Legal Information
Dow Corning is a registered trademark of The Dow Chemical Company or an affiliated company of Dow