chloro(dimethyl-λ4-sulfanylidene)borane

• ChemBase ID: 147087
• Molecular Formular: C2H7BClS
• Molecular Mass: 109.40598
• Monoisotopic Mass: 109.0050043
• SMILES: [BH-]([S+](C)C)Cl
• Canonical SMILES: Cl[BH-][S+](C)C
• InChI: InChI=1S/C2H8BClS/c1-5(2)3-4/h3H2,1-2H3
• InChIKey: CUKLQTNDSCOWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(dimethyl-λ^4-sulfanylidene)borane
• IUPAC Traditional name: chloro(dimethyl-λ^4-sulfanylidene)borane
• Synonyms: Chloro(dimethyl sulfide)dihydroboron; Monochloroborane-dimethyl sulfide; monoChloroborane methyl sulfide complex; Boron monochloride methyl sulfide complex; Chloroborane methyl sulfide complex; 硫化氯硼烷甲基络合物; 单氯硼烷二甲基硫醚络合物

Database IDs

• CAS Number: 63348-81-2
• MDL Number: MFCD00013210
• PubChem SID: 162241278; 24857987
• PubChem CID: 57099335

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.0525022
• Log P: -1.0525022
• Molar Refractivity: 26.5568 cm^3
• Polarizability: 11.95678 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.0525022

PROPERTIES

Physical Property

• Flash Point: 24 °C; 75.2 °F
• Density: 1.059 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: 16-26-27-36/37/39-45
• 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·BH2Cl

DETAILS

Sigma Aldrich - 298441

Packaging
50 g in Sure/Seal™
Application
Reactant for:
• Substitution reactions1
• Boronation reactions2
• Preparation of diborylamines3
• Preparation of unsymmetrical borafluorenes via low-temperature carbon-hydrogen activation reactions4
• Asymmetrical aldol reactions with a-chiral aldehydes5
• Addition reaction with α-pinene6
Reagent for hydroboration and synthesis of chlorodialkylboranes.