4-Trimethylsilyl-3-butyn-1-ol - ≥98% , CAS No.2117-12-6

CAS: 2117-12-6 Cat. No.: T139279 Molecular Weight: 142.27 EC Number: 688-341-7 PubChem CID: 2760827

GRADE & PURITY ≥98%

Synonyms

4-trimethylsilyl-3-butyne-1-ol | VSTMVAFCUIGHQI-UHFFFAOYSA-N | 3-Butyn-1-ol, 4-(trimethylsilyl)- | MFCD00190217 | 4-Trimethylsilyl-3-butyn-1-ol | 4-trimethylsilylbut-3-yn-1-ol | 4-(trimethylsilyl)but-3-yn-1-ol | SCHEMBL103659 | 4-(trimethylsilyl)-3-butyn-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Trimethylsilyl-3-butyn-1-ol is used as an organic chemical synthesis intermediate.

Specifications

Synonyms

4-trimethylsilyl-3-butyne-1-ol | VSTMVAFCUIGHQI-UHFFFAOYSA-N | 3-Butyn-1-ol, 4-(trimethylsilyl)- | MFCD00190217 | 4-Trimethylsilyl-3-butyn-1-ol | 4-trimethylsilylbut-3-yn-1-ol | 4-(trimethylsilyl)but-3-yn-1-ol | SCHEMBL103659 | 4-(trimethylsilyl)-3-butyn-

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C#CCCO
• IUPAC Name: 4-trimethylsilylbut-3-yn-1-ol
• InChIKey: VSTMVAFCUIGHQI-UHFFFAOYSA-N
• INCHI: 1S/C7H14OSi/c1-9(2,3)7-5-4-6-8/h8H,4,6H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)C#CCCO
• PubChem CID: 2760827
• Molecular Weight: 142.27

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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - 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: Soluble in ethanol, acetone, and water (slightly).,
• Sensitivity: moisture sensitive，heat sensitive
• Flash Point(°C): 60 °C
• Boil Point(°C): 98 °C/24 mmHg
• Molecular Weight: 142.270 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 142.081 Da
• Monoisotopic Mass: 142.081 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 132.000
• 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

XLogP3