3-Chloro-4-fluoroaniline - ≥99% , CAS No.367-21-5

CAS: 367-21-5 Cat. No.: C106553 Peso molecular: 145.56 Beilstein Registry Number: 1562786 Número EC: 206-682-8

GRADE & PURITY ≥99%

Synonyms

F2190-0461 | SCHEMBL9602 | Z104477780 | 4-fluoro-3-chlorophenylamine | Aniline, 3-chloro-4-fluoro- | HY-Y0680 | Q27268500 | 3-CHLORO-4-FLUOROANILINE | 3-chloro-4-fluoro-aniline | 3-chloro4-fluoroaniline | 3-chloro4-fluoro-aniline | C-3925 | SB00006 | UNII

Storage

Room temperature

Shipped In

Normal

Descripción general

The exposure of workers to 3-chloro-4-fluoroaniline (CFA) was monitored by an HPLC method.

Specifications

Sinónimos

F2190-0461 | SCHEMBL9602 | Z104477780 | 4-fluoro-3-chlorophenylamine | Aniline, 3-chloro-4-fluoro- | HY-Y0680 | Q27268500 | 3-CHLORO-4-FLUOROANILINE | 3-chloro-4-fluoro-aniline | 3-chloro4-fluoroaniline | 3-chloro4-fluoro-aniline | C-3925 | SB00006 | UNII

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181017
• Sonrisas canónicas: C1=CC(=C(C=C1N)Cl)F
• IUPAC Name: 3-chloro-4-fluoroaniline
• InChIKey: YSEMCVGMNUUNRK-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
• Isómeros SMILES: C1=CC(=C(C=C1N)Cl)F
• WGK Alemania: 2
• Número ONU: 2811
• Peso molecular: 145.56
• Beilstein: 1562786
• Reaxy-Rn: 1562786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562786&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: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in water: 10 g/l (520 ° C), soluble in organic solvents.
• Punto de inflamación (°F): 149 °C
• Punto de inflamación (°C): 149°C
• Punto de ebullición (°C): 230°C
• Punto de fusión (°C): 44-47°C
• Peso molecular: 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