dichloro(dimethyl-λ4-sulfanylidene)-λ4-borane

• ChemBase ID: 147408
• Molecular Formular: C2H6BCl2S
• Molecular Mass: 143.85104
• Monoisotopic Mass: 142.96603195
• SMILES: [B-]([S+](C)C)(Cl)Cl
• Canonical SMILES: Cl[B-]([S+](C)C)Cl
• InChI: InChI=1S/C2H7BCl2S/c1-6(2)3(4)5/h3H,1-2H3
• InChIKey: UMDZKXAEAKAIPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(dimethyl-λ^4-sulfanylidene)-λ^4-borane
• IUPAC Traditional name: dichloro(dimethyl-λ^4-sulfanylidene)-λ^4-borane
• Synonyms: Dichloro(dimethyl sulfide)(hydro)boron; Dichloro(dimethyl sulfide)borane; Dichloroborane dimethyl sulfide; Boron dichloride methyl sulfide complex; Dichloroborane methyl sulfide complex; 硫化硼烷二氯甲基络合物; 硫化二氯硼烷甲基络合物

Database IDs

• CAS Number: 63462-42-0
• MDL Number: MFCD00013209
• PubChem SID: 24857986; 162241596
• PubChem CID: 53379731

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.092002146
• LogD (pH = 7.4): -0.092002146
• Log P: -0.092002146
• Molar Refractivity: 31.8931 cm^3
• Polarizability: 13.795911 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 24 °C; 75.2 °F
• Density: 1.255 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 2920 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Linear Formula: (CH3)2S·BHCl2

DETAILS

Sigma Aldrich - 298433

Packaging
50 g in Sure/Seal™
Application
Reactant for:
• Hydroboration reactions1
• Pyrolysis reactions2
• Addition reactions3
• Preparation of unsymmetrical borafluorenes4
• Cyclization reactions5
• Dismutation followed by haloboration of azadiboriridine to give boron-nitrogen clusters6
• Markovnikov hydroboration7