(methylsulfanyl)methane; trifluoroborane

• ChemBase ID: 303686
• Molecular Formular: C2H6BF3S
• Molecular Mass: 129.9402496
• Monoisotopic Mass: 130.02353625
• SMILES: B(F)(F)F.CSC
• Canonical SMILES: FB(F)F.CSC
• InChI: InChI=1S/C2H6S.BF3/c1-3-2;2-1(3)4/h1-2H3
• InChIKey: BRWZPVRDOUWXKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfanyl)methane; trifluoroborane
• IUPAC Traditional name: boron trifluoride; dimethyl sulfide
• Synonyms: Boron trifluoride-dimethyl sulfide complex, purified; 三氟硼烷二甲基硫醚络合物,纯化, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 353-43-5
• MDL Number: MFCD00013193

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5525
• LogD (pH = 7.4): 0.5525
• Log P: 0.5525
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 2.6677341 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.235

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2920
• Hazard Class: 8
• Packing Group: I
• Risk Statements: 11-34-37
• Safety Statements: 7-20-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H314-H318-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Packaging: packaged under Argon in resealable ChemSeal? bottles