tributylstannyl ditrimethylsilyl phosphate

• ChemBase ID: 145485
• Molecular Formular: C18H45O4PSi2Sn
• Molecular Mass: 531.393261
• Monoisotopic Mass: 532.16159361
• SMILES: CCCC[Sn](CCCC)(CCCC)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: CCCC[Sn](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C6H19O4PSi2.3C4H9.Sn/c1-12(2,3)9-11(7,8)10-13(4,5)6;3*1-3-4-2;/h1-6H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1
• InChIKey: ASQKAZSYRUOBEU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylstannyl ditrimethylsilyl phosphate
• IUPAC Traditional name: tributylstannyl ditrimethylsilyl phosphate
• Synonyms: Bis[(trimethylsilyl)tributyl]stannyl phosphate; 双[(三甲基硅基)三丁基]锡磷酸盐

Database IDs

• CAS Number: 74785-85-6
• MDL Number: MFCD00010347
• PubChem SID: 24900559; 162239690; 24856777
• PubChem CID: 16685053

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4445
• LogD (pH = 7.4): 7.4445
• Log P: 7.4445
• Molar Refractivity: 104.567 cm^3
• Polarizability: 50.58401 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: [(CH3)3SiO]2P(O)OSn[(CH2)3CH3]3

DETAILS

Sigma Aldrich - 277657

Application
For the preparation of unesterified acyl or sugar phosphates under mild conditions.1
Packaging
1, 5 g in glass bottle