4-Bromo-3-chloro-2-fluoroaniline - ≥98% , CAS No.115843-99-7

CAS: 115843-99-7 Cat. No.: B179734 Peso molecular: 224.5 Número EC: 831-249-0

GRADE & PURITY ≥98%

Synonyms

Z1269194938 | A803493 | SCHEMBL159571 | AKOS005255700 | FT-0677920 | (4-Bromo-3-chloro-2-fluorophenyl)amine | PS-10198 | 4-bromanyl-3-chloranyl-2-fluoranyl-aniline | J-514712 | MFCD04039280 | 4-bromo-3-chloro-2-fluoroaniline | 4-bromo-3-chloro-2-fluoro-an

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Z1269194938 | A803493 | SCHEMBL159571 | AKOS005255700 | FT-0677920 | (4-Bromo-3-chloro-2-fluorophenyl)amine | PS-10198 | 4-bromanyl-3-chloranyl-2-fluoranyl-aniline | J-514712 | MFCD04039280 | 4-bromo-3-chloro-2-fluoroaniline | 4-bromo-3-chloro-2-fluoro-an

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762080
• Sonrisas canónicas: C1=CC(=C(C(=C1N)F)Cl)Br
• IUPAC Name: 4-bromo-3-chloro-2-fluoroaniline
• InChIKey: WYXZIQDHENNEPU-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
• Isómeros SMILES: C1=CC(=C(C(=C1N)F)Cl)Br
• Peso molecular: 224.5
• Reaxy-Rn: 18789938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18789938&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 Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organohalogen compound - Organobromide - Organochloride - 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

• Sensibilidad: Light sensitive
• Peso molecular: 224.460 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.92 Da
• Monoisotopic Mass: 222.92 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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