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

• ChemBase ID: 149732
• Molecular Formular: C2H6BCl3S
• Molecular Mass: 179.30404
• Monoisotopic Mass: 177.93488463
• SMILES: [B-]([S+](C)C)(Cl)(Cl)Cl
• Canonical SMILES: Cl[B-]([S+](C)C)(Cl)Cl
• InChI: InChI=1S/C2H6BCl3S/c1-7(2)3(4,5)6/h1-2H3
• InChIKey: YNDYUDLLOGOQNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(dimethyl-λ^4-sulfanylidene)-λ^5-borane
• IUPAC Traditional name: trichloro(dimethyl-λ^4-sulfanylidene)-λ^5-borane
• Synonyms: Dimethyl sulfide-trichloroborane; Trichloroborane-methyl sulfide; Boron trichloride methyl sulfide complex; Boron trichloride methyl sulfide complex solution; 三氯化硼-甲硫醚; 二甲基硫醚-三氯化硼; 三氯化硼甲硫醚络合物; 三氯化硼甲硫醚络合物 溶液

Database IDs

• CAS Number: 5523-19-3
• MDL Number: MFCD00013208
• PubChem SID: 162243894; 24854844; 24854843
• PubChem CID: 16211690

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.1315022
• LogD (pH = 7.4): -1.1315022
• Log P: -1.1315022
• Molar Refractivity: 37.2294 cm^3
• Polarizability: 15.706502 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-90 °C(lit.)
• Density: 1.344 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; 3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34; 34-40
• Safety Statements: 26-27-28-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H351
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2; UN 3264 8/PG 2

Product Information

• Purity: 99%
• Concentration: 2.0 M in methylene chloride
• Linear Formula: (CH3)2S · BCl3; (CH3)2S·BCl3

DETAILS

Sigma Aldrich - 247014

General description
Boron trichloride in convenient solid form.
Packaging
25, 100 g in glass bottle

Sigma Aldrich - 247022

Application
Convenient reagent for dealkylation of aryl ethers.1
Packaging
100 mL in Sure/Seal™