tris(propan-2-yl) stiborite

• ChemBase ID: 148483
• Molecular Formular: C9H21O3Sb
• Molecular Mass: 299.02124
• Monoisotopic Mass: 298.05288453
• SMILES: CC(C)O[Sb](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Sb](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Sb/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: HYPTXUAFIRUIRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yl) stiborite
• IUPAC Traditional name: triisopropyl stiborite
• Synonyms: Antimony(III) isopropoxide; 异丙氧基锑

Database IDs

• CAS Number: 18770-47-3
• EC Number: 242-561-6
• MDL Number: MFCD00143623
• PubChem SID: 162242658; 24870678
• PubChem CID: 16685151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8475
• LogD (pH = 7.4): 2.8475
• Log P: 2.8475
• Molar Refractivity: 48.6429 cm^3
• Polarizability: 24.704779 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 53-54 °C/0.25 mmHg(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 1.307 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• 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

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: Sb(OCH(CH3)2)3

DETAILS

Sigma Aldrich - 470732

Packaging
5 mL in glass bottle