2,2,2-Trifluoro-N-phenylacetimidoyl Chloride - ≥98%(GC) , CAS No.61881-19-4

CAS: 61881-19-4 Cat. No.: T162283 Peso molecular: 207.58 Número EC: 672-669-2 PubChem CID: 10058869

GRADE & PURITY ≥98%(GC)

Synonyms

1241668-92-7 | 2,2,2-Trifluoro-N-phenylacetimidoylChloride | N-phenyl-2,2,2-trifluoroacetimidoyl chloride | NCGC00245422-01 | DTXSID40434885 | EN300-107073 | AKOS009270902 | 2,2,2-trifluoro-N-phenylethanecarbonimidoyl chloride | Phenethylchloride | EN300-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1241668-92-7 | 2, 2, 2-Trifluoro-N-phenylacetimidoylChloride | N-phenyl-2, 2, 2-trifluoroacetimidoyl chloride | NCGC00245422-01 | DTXSID40434885 | EN300-107073 | AKOS009270902 | 2, 2, 2-trifluoro-N-phenylethanecarbonimidoyl chloride | Phenethylchloride | EN300-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• IUPAC Name: 2,2,2-trifluoro-N-phenylethanimidoyl chloride
• InChIKey: UKKALSJSKAHGTL-UHFFFAOYSA-N
• INCHI: 1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• PubChem CID: 10058869
• Peso molecular: 207.58
• Reaxy-Rn: 2722710

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Imidoyl chlorides Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Imidoyl halide - Imidoyl chloride - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°C): 60 °C
• Punto de ebullición (°C): 53 °C/10 mmHg
• Peso molecular: 207.580 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.006 Da
• Monoisotopic Mass: 207.006 Da
• Topological Polar Surface Area: 12.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• 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