(methylsulfanyl)methane; dibromoborane

• ChemBase ID: 149114
• Molecular Formular: C2H7BBr2S
• Molecular Mass: 233.76098
• Monoisotopic Mass: 231.87282562
• SMILES: B(Br)Br.CSC
• Canonical SMILES: CSC.BrBBr
• InChI: InChI=1S/C2H6S.BBr2H/c1-3-2;2-1-3/h1-2H3;1H
• InChIKey: PGSRDLGPKTVELT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfanyl)methane; dibromoborane
• IUPAC Traditional name: dibromoborane; dimethyl sulfide
• Synonyms: Dibromoborane dimethyl sulfide complex; Dibromo(dimethyl sulfide)(hydro)boron; Dibromo(dimethyl sulfide)borane; Dibromoborane compound with dimethylsulfane; Dibromoborane dimethyl sulfide; Boron dibromide methyl sulfide complex; Dibromo(dimethyl sulfide)(hydro)boron solution; Dibromo(dimethyl sulfide)borane solution; Dibromoborane compound with dimethylsulfane solution; Dibromoborane dimethyl sulfide solution; Dibromoborane dimethyl sulfide complex solution; 二溴硼烷甲硫醚络合物; 二溴甲基硫醚化硼络合物; 二溴硼烷二甲基硫醚络合物 溶液

Database IDs

• CAS Number: 55671-55-1
• MDL Number: MFCD00011601
• Beilstein Number: 4449985
• PubChem SID: 162243282; 24860801; 24855287; 24855855
• PubChem CID: 11020808

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9442
• LogD (pH = 7.4): 1.9442
• Log P: 1.9442
• Molar Refractivity: 18.2704 cm^3
• Polarizability: 8.760065 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-35 °C(lit.)
• Flash Point: 26 °C; 27 °C; 78.8 °F; 80.6 °F
• Density: 1.415 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2920; 3396
• German water hazard class: 3
• Hazard Class: 4.3; 8
• Packing Group: 2
• Risk Statements: 10-14/15-34; 10-14/15-34-40
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H261-H314-H351; H228-H261-H314
• GHS Precautionary statements: P210-P231 + P232-P280-P305 + P351 + P338-P310-P422; P231 + P232-P280-P305 + P351 + P338-P310-P422
• 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; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2; UN 3396 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Concentration: ~1 M in methylene chloride; 1.0 M in methylene chloride
• Grade: technical
• Linear Formula: (CH3)2S · BHBr2

DETAILS

Sigma Aldrich - 262056

Packaging
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6

Sigma Aldrich - 255106

Packaging
100 g in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6

Sigma Aldrich - 34035

Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6