Propargyl chloroformate - ≥96% , CAS No.35718-08-2

CAS: 35718-08-2 Cat. No.: P468141 Fórmula: HC≡CCH₂OCOCl Peso molecular: 118.52 Número EC: 629-050-7 PubChem CID: 3356829

GRADE & PURITY ≥96%

Synonyms

2-propynyl chloroformate | carbonochloridic acid prop-2-ynyl ester | Propargyl chloroformate | STL373497 | prop-2-yn-1-yl carbonochloridate | VS-08788 | BBL028473 | EN300-220154 | SCHEMBL585989 | A822954 | prop-2-ynyl carbonochloridate | Propargyl chlorof

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Propargyl chloroformate is a propargyl ester. It serves as a protecting group for the hydroxy and amino functional group. Rates of solvolysis of propargyl chloroformate has been analyzed in various solvents of widely varying nucleophilicity and ionizing power values using the extended Grunwald-Winstein equation.Propargyl chloroformate may be used for the preparation of the following:binaphthol-diacetylene derivativespropargyl pentafluorophenyl carbonateN-Poc protected amino acids (Poc = propargyloxycarbonyl)

Specifications

Sinónimos

2-propynyl chloroformate | carbonochloridic acid prop-2-ynyl ester | Propargyl chloroformate | STL373497 | prop-2-yn-1-yl carbonochloridate | VS-08788 | BBL028473 | EN300-220154 | SCHEMBL585989 | A822954 | prop-2-ynyl carbonochloridate | Propargyl chlorof

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488194369

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194369

Sonrisas canónicas

C#CCOC(=O)Cl

IUPAC Name

prop-2-ynyl carbonochloridate

InChIKey

RAMTXCRMKBFPRG-UHFFFAOYSA-N

INCHI

1S/C4H3ClO2/c1-2-3-7-4(5)6/h1H,3H2

Isómeros SMILES

C#CCOC(=O)Cl

WGK Alemania

3

PubChem CID

3356829

Peso molecular

118.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Acetylides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 86 °F
• Punto de inflamación (°C): 30 °C
• Peso molecular: 118.520 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 117.982 Da
• Monoisotopic Mass: 117.982 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 110.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 35718-08-2, the molecular formula is HC≡CCH2OCOCl, and the molecular weight is 118.52 g/mol. InChIKey RAMTXCRMKBFPRG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.