4-Bromo-2-fluoroaniline - ≥98% , CAS No.367-24-8

CAS: 367-24-8 Cat. No.: B115549 Peso molecular: 190.01 Número EC: 206-685-4

GRADE & PURITY ≥98%

Synonyms

AM20060182 | BCP21565 | 4-bromo-2-fluorophenylamine | 4-Bromo-2-fluoro-phenylamine | STL163903 | B1314 | (4-bromo-2-fluorophenyl)amine | 9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

4-Bromo-2-fluoroaniline was used in synthesis of 4-amino-3-fluorophenyl boronic acid.It was also used in chemical modification and synthesis of boronic acid derivatives for ultraviolet-visible titration.

Specifications

Sinónimos

AM20060182 | BCP21565 | 4-bromo-2-fluorophenylamine | 4-Bromo-2-fluoro-phenylamine | STL163903 | B1314 | (4-bromo-2-fluorophenyl)amine | 9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-imino-3, 9-dihydro-2H-purin-6-ol |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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: 504756889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756889
• Sonrisas canónicas: C1=CC(=C(C=C1Br)F)N
• IUPAC Name: 4-bromo-2-fluoroaniline
• InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• Isómeros SMILES: C1=CC(=C(C=C1Br)F)N
• WGK Alemania: 3
• Peso molecular: 190.01
• Reaxy-Rn: 2081089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081089&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 Bromobenzenes Aryl fluorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Amine - Organobromide - 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

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 219.2 °F
• Punto de inflamación (°C): 104°C
• Punto de ebullición (°C): 103-108°C
• Punto de fusión (°C): 40-42°C
• Peso molecular: 190.010 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.959 Da
• Monoisotopic Mass: 188.959 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

Referencias

1. Liying Shen, Jingjing Zhai, Yanchen Huo, Xiuling Wang, Xiaochao Shi.  (2024)  Bis(phosphinophenyl)amido-Ligated Binuclear Rare-Earth Metal Complexes for Highly cis-1,4-Selective Polymerization of 1,3-Conjugated Dienes.  MACROMOLECULAR RAPID COMMUNICATIONS,  45  (22): (2400486).  [PMID:39141848] [10.1002/marc.202400486]