Borane dimethyl sulfide complex - 5.0 M in diethyl ether , CAS No.13292-87-0

CAS: 13292-87-0 Cat. No.: B130055 Molecular Weight: 75.97 Beilstein Registry Number: 3663489 EC Number: 236-313-6

GRADE & PURITY 5.0 M in diethyl ether

Synonyms

Dimethyl sulfide borane | (Dimethyl sulfide)trihydroboron | borane Me2S | BMS | borane DMS | borane methylsulfide | borane dimethyl sulfide | borane dimethylsulfide | DMS Borane | Borane-dimethyl sulfide | boron;methylsulfanylmethane | MFCD00013189

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Borane dimethyl sulfide complex is a stable source of borane used in hydroboration reduction reactions in organic synthesis. Studies indicate that Borane dimethyl sulfide complex can selectively suppress &alpha-hydroxyesters.
Usually used as a regioselective reducing agent,involved in hydroboration / oxidation and synthesis of cage compounds.

Specifications

Synonyms

Dimethyl sulfide borane | (Dimethyl sulfide)trihydroboron | borane Me2S | BMS | borane DMS | borane methylsulfide | borane dimethyl sulfide | borane dimethylsulfide | DMS Borane | Borane-dimethyl sulfide | boron;methylsulfanylmethane | MFCD00013189

Specifications & Purity

5.0 M in diethyl ether

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: [B].CSC
• InChIKey: MCQRPQCQMGVWIQ-UHFFFAOYSA-N
• INCHI: 1S/C2H6S.B/c1-3-2;/h1-2H3
• Isomeric SMILES: [B].CSC
• WGK Germany: 3
• Molecular Weight: 75.97
• Beilstein: 3663489
• Reaxy-Rn: 14759666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14759666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat,Light,Air,Moisture sensitive.
• Flash Point(°F): -31 °F
• Flash Point(°C): -35 °C
• Molecular Weight: 72.950 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 73.0283 Da
• Monoisotopic Mass: 73.0283 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 2.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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