(dimethyl-λ4-sulfanylidene)trifluoro-λ5-borane

• ChemBase ID: 149979
• Molecular Formular: C2H6BF3S
• Molecular Mass: 129.9402496
• Monoisotopic Mass: 130.02353625
• SMILES: [B-](F)(F)(F)[S+](C)C
• Canonical SMILES: F[B-]([S+](C)C)(F)F
• InChI: InChI=1S/C2H6BF3S/c1-7(2)3(4,5)6/h1-2H3
• InChIKey: VPECYQXBNOAJIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethyl-λ^4-sulfanylidene)trifluoro-λ^5-borane
• IUPAC Traditional name: (dimethyl-λ^4-sulfanylidene)trifluoro-λ^5-borane
• Synonyms: Dimethyl sulfide-trifluoroborane; Trifluoroborane-methyl sulfide; Boron trifluoride methyl sulfide complex; 三氟化硼-甲硫醚; 二甲基硫醚-三氟化硼; 三氟二甲基硫醚化硼

Database IDs

• CAS Number: 353-43-5
• MDL Number: MFCD00013193
• PubChem SID: 162244141; 24855849
• PubChem CID: 71311438

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.007502
• LogD (pH = 7.4): -2.007502
• Log P: -2.007502
• Molar Refractivity: 23.3244 cm^3
• Polarizability: 9.581192 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -16 °C; 3.2 °F
• Density: 1.235 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 95%
• Linear Formula: (CH3)2S · BF3

DETAILS

Sigma Aldrich - 261998

Packaging
100, 800 mL in Sure/Seal™