Tribromoborane-methyl sulfide

Base Information

• Chemical Name: Tribromoborane-methyl sulfide
• CAS No.: 29957-59-3
• Molecular Formula: C2H6 B Br3 S
• Molecular Weight: 312.659
• Hs Code.: 29309099
• European Community (EC) Number: 684-217-1
• DSSTox Substance ID: DTXSID00400389
• Wikidata: Q82203342
• Mol file: 29957-59-3.mol

Synonyms:29957-59-3;Tribromoborane-methyl sulfide;tribromo(dimethylsulfonio)boranuide;Dimethyl sulfide-tribromoborane;tribromo(dimethylsulfonio)borate;DTXSID00400389;NCVLHAUANAMSTL-UHFFFAOYSA-N;FT-0713982;Boron, tribromo[thiobis[methane]]-, (T-4)-;J-017710

Chemical Property of Tribromoborane-methyl sulfide

Chemical Property:

• Melting Point: 106-108 °C(lit.)
• PSA: 19.21000
• Density: 1.456 g/mL at 25oC
• LogP: 3.13520
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 311.78129
• Heavy Atom Count: 7
• Complexity: 58.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boron tribromide dimethyl sulfide complex solution 1.0 M in methylene chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,C
• Statements: 23/24/25-34-40-14-67-37
• Safety Statements: 26-36/37/39-45-28-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [B-]([S+](C)C)(Br)(Br)Br
• Uses: Reactant for preparation of:Precursor of HIV protease inhibitor KNI 764 using cation-exchange resin mediated Mannich reactionReagent for:Baylis-Hillman reactions Boron tribromide dimethyl sulfide complex (BBr3S(CH3)2) can be used as a reagent: To prepare demethylated products from aryl methyl ethers by deprotection of methyl groups.To hydrolyze 1,3-methylenedioxole ring compounds to 1,2-dihydroxy compounds. To prepare benzyl S,S′-diphenyl acetal by reacting with phenylacetic acid and thexylphenylthioborane. To synthesize Baylis?Hillman adducts and α-halomethyl enones by the reaction between aldehydes and 3-buten-2-one.