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

CAS: 61881-19-4 Cat. No.: T162283 Molecular Weight: 207.58 EC Number: 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

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-

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• PubChem CID: 10058869
• Molecular Weight: 207.58
• Reaxy-Rn: 2722710

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.48
• Flash Point(°C): 60 °C
• Boil Point(°C): 53 °C/10 mmHg
• Molecular Weight: 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