N-(4-Methoxyphenyl)trifluoroacetimidoyl Chloride - ≥98%(GC) , CAS No.75999-66-5

CAS: 75999-66-5 Cat. No.: N134846 Peso molecular: 237.61 Número EC: 672-613-7

GRADE & PURITY ≥98%(GC)

Synonyms

2,2,2-Trifluoro-N-(4-methoxyphenyl)acetimidoylChloride | 2,2,2-TRIFLUORO-N-(4-METHOXY-PHENYL)-ACETIMIDOYLCHLORIDE | SCHEMBL5546921 | 2,2,2-Trifluoro-N-(4-methoxyphenyl)ethanimidoyl Chloride | (Z)-2,2,2-TRIFLUORO-N-(4-METHOXYPHENYL)ETHANECARBONIMIDOYL CHLO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2, 2, 2-Trifluoro-N-(4-methoxyphenyl)acetimidoylChloride | 2, 2, 2-TRIFLUORO-N-(4-METHOXY-PHENYL)-ACETIMIDOYLCHLORIDE | SCHEMBL5546921 | 2, 2, 2-Trifluoro-N-(4-methoxyphenyl)ethanimidoyl Chloride | (Z)-2, 2, 2-TRIFLUORO-N-(4-METHOXYPHENYL)ETHANECARBONIMIDOYL CHLO

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488196658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196658
• Sonrisas canónicas: COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• IUPAC Name: 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride
• InChIKey: CIRVADWNFWYATJ-UHFFFAOYSA-N
• INCHI: 1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• Peso molecular: 237.61
• Reaxy-Rn: 4314806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4314806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidoyl chlorides Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Imidoyl chloride - Imidoyl halide - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.51
• Punto de ebullición (°C): 98 °C/14 mmHg
• Peso molecular: 237.600 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.017 Da
• Monoisotopic Mass: 237.017 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• 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