hexachlorostibanuide; trimethyloxidanium

• ChemBase ID: 137400
• Molecular Formular: C3H9Cl6OSb
• Molecular Mass: 395.58096
• Monoisotopic Mass: 391.78227099
• SMILES: C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.C[O+](C)C
• InChI: InChI=1S/C3H9O.6ClH.Sb/c1-4(2)3;;;;;;;/h1-3H3;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: YAHNDGAYGJSBJE-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachlorostibanuide; trimethyloxidanium
• IUPAC Traditional name: hexachlorostibanuide; trimethyloxidanium
• Synonyms: Trimethyloxonium hexachloroantimonate; 六氯锑酸三甲基氧鎓

Database IDs

• CAS Number: 54075-76-2
• EC Number: 258-960-3
• MDL Number: MFCD00011799
• PubChem SID: 162231663
• PubChem CID: 150258

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8126
• LogD (pH = 7.4): 3.8126
• Log P: 3.8126
• Molar Refractivity: 36.8178 cm^3
• Polarizability: 19.137497 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3261
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3261 8/PG 2

Product Information

• Linear Formula: (CH3)3OSbCl6

DETAILS

Sigma Aldrich - 164658

Application
Enzyme-methylating agent