3-(Trimethylsilyl)propargyl bromide - ≥97% , CAS No.38002-45-8

CAS: 38002-45-8 Cat. No.: T113980 Molecular Weight: 191.14 Beilstein Registry Number: 2037650 EC Number: 609-506-1 PubChem CID: 642589

GRADE & PURITY ≥97%

Synonyms

(3-bromo-prop-1-ynyl)-trimethyl-silane | (3-bromoprop-1-ynyl)trimethylsilane | SCHEMBL24235 | 3-Bromo-1-(trimethylsilyl)-1-propyne, 98% | AMY1270 | LUTETIUMACETATE | 3-Bromo-1-(trimethylsilyl)-1-propyne | AS-19351 | (3-bromoprop-1-yn-1-yl)(trimethyl)silan

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3-Bromo-1-(trimethylsilyl)-1-propyne is reported as a propargylating agent.5 Selective reaction of 3-bromo-1-(trimethylsilyl)-1-propyne with α-keto ester using indium metal has been studied.

Specifications

Synonyms

(3-bromo-prop-1-ynyl)-trimethyl-silane | (3-bromoprop-1-ynyl)trimethylsilane | SCHEMBL24235 | 3-Bromo-1-(trimethylsilyl)-1-propyne, 98% | AMY1270 | LUTETIUMACETATE | 3-Bromo-1-(trimethylsilyl)-1-propyne | AS-19351 | (3-bromoprop-1-yn-1-yl)(trimethyl)silan

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C#CCBr
• IUPAC Name: 3-bromoprop-1-ynyl(trimethyl)silane
• InChIKey: GAPRPFRDVCCCHR-UHFFFAOYSA-N
• INCHI: 1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)C#CCBr
• WGK Germany: 3
• PubChem CID: 642589
• Molecular Weight: 191.14
• Beilstein: 2037650
• Reaxy-Rn: 2037650

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkylsilanes
          • Level6 Trialkylsilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkylsilanes
• Direct Parent: Trialkylsilanes
• Alternative Parents: Organic metalloid salts Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
• 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

• Solubility: Immiscible with water.
• Sensitivity: Air & Moisture Sensitive
• Refractive Index: 1.483
• Flash Point(°F): 145.4 °F
• Flash Point(°C): 63 °C
• Boil Point(°C): 44-45°C
• Molecular Weight: 191.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 189.981 Da
• Monoisotopic Mass: 189.981 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 120.000
• 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: 1

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