3-(Trimethylsilyl)propynoic acid - ≥98% , CAS No.5683-31-8

CAS: 5683-31-8 Cat. No.: T107730 Molecular Weight: 142.23 Beilstein Registry Number: 1755674 EC Number: 628-042-0 PubChem CID: 2760863

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1285864 | 3-(trimethylsilyl)prop-2-ynoic acid | 3-(Trimethylsilyl)propargylic Acid | MFCD00190216 | 3-(Trimethylsilyl)propynoic acid | FT-0651711 | TMS-propynoic acid | 2-Propynoic acid, 3-(trimethylsilyl)- | 3-trimethylsilylprop-2-ynoic Acid | A83

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3-(Trimethylsilyl)propynoic acid may be used in the regioselective preparation of 1,5-trisubstituted 1H-1,2,3-triazoles.

Specifications

Synonyms

SCHEMBL1285864 | 3-(trimethylsilyl)prop-2-ynoic acid | 3-(Trimethylsilyl)propargylic Acid | MFCD00190216 | 3-(Trimethylsilyl)propynoic acid | FT-0651711 | TMS-propynoic acid | 2-Propynoic acid, 3-(trimethylsilyl)- | 3-trimethylsilylprop-2-ynoic Acid | A83

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#CC(=O)O
• IUPAC Name: 3-trimethylsilylprop-2-ynoic acid
• InChIKey: IPEATTYBFBRNEB-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)
• Isomeric SMILES: C[Si](C)(C)C#CC(=O)O
• WGK Germany: 3
• PubChem CID: 2760863
• Molecular Weight: 142.23
• Beilstein: 1755674

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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - 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 methanol.
• Sensitivity: heat & Moisture & Air sensitive.
• Flash Point(°F): 96 °C
• Flash Point(°C): 96°C
• Boil Point(°C): 105-110°C
• Melt Point(°C): 47-49°C
• Molecular Weight: 142.230 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.045 Da
• Monoisotopic Mass: 142.045 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 176.000
• 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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