Allyl 2,2,2-Trichloroacetimidate - ≥98%(GC) , CAS No.51479-73-3

CAS: 51479-73-3 Cat. No.: A151034 Fórmula: C₅H₆Cl₃NO Peso molecular: 202.46 Beilstein Registry Number: 1907080 Número CE: 626-479-1

GRADE & PURITY ≥98%(GC)

Synonyms

BCA47973 | SY052957 | NSC245512 | NSC-245512 | H11373 | FT-0756101 | allyltrichloroacetimidate | AKOS025295408 | MFCD00190710 | O-Allyl 2,2,2-trichloroacetimidate, 96% | 2,2,2-Trichloroacetimidoic acid, 2-propenyl ester | 2,2,2-Trichloroacetimidic acid al

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BCA47973 | SY052957 | NSC245512 | NSC-245512 | H11373 | FT-0756101 | allyltrichloroacetimidate | AKOS025295408 | MFCD00190710 | O-Allyl 2,2,2-trichloroacetimidate, 96% | 2,2,2-Trichloroacetimidoic acid, 2-propenyl ester | 2,2,2-Trichloroacetimidic acid al

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488189468

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189468

Sorrisos canónicos

C=CCOC(=N)C(Cl)(Cl)Cl

IUPAC Name

prop-2-enyl 2,2,2-trichloroethanimidate

InChIKey

UJYZRNWTLPBNOR-UHFFFAOYSA-N

INCHI

1S/C5H6Cl3NO/c1-2-3-10-4(9)5(6,7)8/h2,9H,1,3H2

SMILES isoméricas

C=CCOC(=N)C(Cl)(Cl)Cl

WGK Alemanha

3

Peso molecular

202.46

Beilstein

1907080

Reaxy-Rn

1907084

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture Sensitive,Heat Sensitive
• Índice de refração: 1.49
• Ponto de inflamação (°F): 163.4 °F
• Ponto de inflamação (°C): 74°C(lit.)
• Ponto de ebulição (°C): 74°C/11mmHg(lit.)
• Peso molecular: 202.460 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.951 Da
• Monoisotopic Mass: 200.951 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 51479-73-3, the molecular formula is C5H6Cl3NO, and the molecular weight is 202.46 g/mol. InChIKey UJYZRNWTLPBNOR-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.