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

CAS: 75999-66-5 Cat. No.: N134846 Molecular Weight: 237.61 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488196658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196658
• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.51
• Boil Point(°C): 98 °C/14 mmHg
• Molecular Weight: 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