tritrimethylsilyl borate

• ChemBase ID: 148970
• Molecular Formular: C9H27BO3Si3
• Molecular Mass: 278.37638
• Monoisotopic Mass: 278.13610472
• SMILES: B(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OB(O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C9H27BO3Si3/c1-14(2,3)11-10(12-15(4,5)6)13-16(7,8)9/h1-9H3
• InChIKey: YZYKZHPNRDIPFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tritrimethylsilyl borate
• IUPAC Traditional name: tritrimethylsilyl borate
• Synonyms: Tris(trimethylsilyl) borate; Boric acid tris(trimethylsilyl) ester; Tris(trimethylsiloxy)boron; Tris(trimethylsilyl) borate; 硼酸三(三甲硅烷基)酯; 三(三甲代甲硅烷基)硼酸盐

Database IDs

• CAS Number: 4325-85-3
• EC Number: 000-000-0
• MDL Number: MFCD00051588
• Beilstein Number: 1772733
• PubChem SID: 24861596; 162243140
• PubChem CID: 78020

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0485
• LogD (pH = 7.4): 6.0485
• Log P: 6.0485
• Molar Refractivity: 56.0715 cm^3
• Polarizability: 30.176567 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -35°C
• Boiling Point: 183-185°C; 186 °C(lit.)
• Flash Point: 105.8 °F; 41 °C; 42°C(107°F)
• Density: 0.831 g/mL at 25 °C(lit.); 0.834
• Refractive Index: 1.3861; n20/D 1.386(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95+%; 98%; 99%
• Linear Formula: [(CH3)3SiO]3B

DETAILS

Sigma Aldrich - 348635

Packaging
25, 100 g in glass bottle