2-Bromo-4-chloro-6-fluoroaniline - ≥98%(GC) , CAS No.195191-47-0

CAS: 195191-47-0 Cat. No.: B152617 Peso molecular: 224.46 Número EC: 606-332-8

GRADE & PURITY ≥98%(GC)

Synonyms

Benzenamine, 2-bromo-4-chloro-6-fluoro- | A4287 | AKOS005257539 | SY050610 | 2-Bromo-4-chloro-6-fluoroaniline, 98% | 2-bromo-4-chloro-6-fluorobenzenamine | InChI=1/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H | 2-Bromo-4-chloro-6-fluoroaniline | GS-3637 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzenamine, 2-bromo-4-chloro-6-fluoro- | A4287 | AKOS005257539 | SY050610 | 2-Bromo-4-chloro-6-fluoroaniline, 98% | 2-bromo-4-chloro-6-fluorobenzenamine | InChI=1/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H, 10H | 2-Bromo-4-chloro-6-fluoroaniline | GS-3637 |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488192780
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192780
• Sonrisas canónicas: C1=C(C=C(C(=C1F)N)Br)Cl
• IUPAC Name: 2-bromo-4-chloro-6-fluoroaniline
• InChIKey: HBHBARSMRVAINH-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
• Isómeros SMILES: C1=C(C=C(C(=C1F)N)Br)Cl
• WGK Alemania: 3
• Peso molecular: 224.46
• Reaxy-Rn: 7805424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7805424&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: 2-bromoanilines
• 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: 2-bromoaniline - 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 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
• 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: Soluble in Methanol
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de fusión (°C): 42 °C
• Peso molecular: 224.460 g/mol
• XLogP3: 2.700
• 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