4-Chloro-2-fluoroaniline - ≥98% , CAS No.57946-56-2

CAS: 57946-56-2 Cat. No.: C122487 Summenformel: ClC₆H₃(F)NH₂ Molekulargewicht: 145.56 Beilstein Registry Number: 1934804 EG-Nummer: 261-034-1

GRADE & PURITY ≥98%

Synonyms

Z104477618 | A934160 | W-105428 | AC-3668 | STL169020 | AM20040764 | 4-Chloro-2-fluoroaniline, 98% | F0001-1510 | FT-0612036 | 4-Chloro-2-fluoroaniline | 4-chloro-2-fluoro-aniline | 4chloro-2-fluoroaniline | CCG-302537 | 2-fluoro-4-chloroaniline | 2-fluor

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Z104477618 | A934160 | W-105428 | AC-3668 | STL169020 | AM20040764 | 4-Chloro-2-fluoroaniline, 98% | F0001-1510 | FT-0612036 | 4-Chloro-2-fluoroaniline | 4-chloro-2-fluoro-aniline | 4chloro-2-fluoroaniline | CCG-302537 | 2-fluoro-4-chloroaniline | 2-fluor

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488186799
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186799
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)F)N
• IUPAC Name: 4-chloro-2-fluoroaniline
• InChIKey: CSFDTBRRIBJILD-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• Isomere SMILES: C1=CC(=C(C=C1Cl)F)N
• WGK Deutschland: 3
• Molekulargewicht: 145.56
• Beilstein: 1934804
• Reaxy-Rn: 1934804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934804&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.56
• Flammpunkt (°F): 210.2 °F
• Flammpunkt (°C): 99°C(Lit.)
• Siedepunkt (°C): 92°C/2.3mmHg
• Molekulargewicht: 145.560 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.009 Da
• Monoisotopic Mass: 145.009 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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