tributyl stiborite

• ChemBase ID: 149657
• Molecular Formular: C12H27O3Sb
• Molecular Mass: 341.10098
• Monoisotopic Mass: 340.09983472
• SMILES: CCCCO[Sb](OCCCC)OCCCC
• Canonical SMILES: CCCCO[Sb](OCCCC)OCCCC
• InChI: InChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
• InChIKey: YGBFTDQFAKDXBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl stiborite
• IUPAC Traditional name: tributyl stiborite
• Synonyms: Antimony(III) butoxide solution; 丁氧基锑 溶液

Database IDs

• CAS Number: 2155-74-0
• MDL Number: MFCD00015238
• PubChem SID: 162243820; 24863478
• PubChem CID: 16693615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2029
• LogD (pH = 7.4): 4.2029
• Log P: 4.2029
• Molar Refractivity: 62.7615 cm^3
• Polarizability: 30.13055 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 32 °C; 89.6 °F
• Density: 1.225 g/mL at 25 °C
• Refractive Index: n20/D 1.48
• Vapor Pressure: 1.1 mmHg ( 54.4 °C)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 63-10-20/22-37/38-41-48/20-51/53-65
• Safety Statements: 26-36/37/39-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H332-H304-H315-H318-H335 + H336-H361d-H373-H411
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P331
• 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

• Concentration: 65 wt. % in toluene
• Linear Formula: Sb(OC4H9)3

DETAILS

Sigma Aldrich - 376922

Features and Benefits
Reagent used in formation studies of poly(ethylene terephthalate).3
Packaging
50, 250 mL in glass bottle
Application
Reagent used in formation studies of poly(ethylene terephthalate).1,2