3-Bromo-4-(trifluoromethyl)aniline - ≥95% , CAS No.172215-91-7

CAS: 172215-91-7 Cat. No.: B182059 Peso molecular: 240 Número EC: 845-660-8

GRADE & PURITY ≥95%

Synonyms

DTXSID80595126 | Benzenamine, 3-bromo-4-(trifluoromethyl)- | EN300-157478 | AKOS007930806 | SCHEMBL1039295 | Z1269216268 | 3-Bromo-4-(trifluoromethyl)aniline | GS-3882 | VMERAUXEEDONDK-UHFFFAOYSA-N | MFCD12828280 | 3-BROMO-4-TRIFLUOROMETHYLANILINE | CL889

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID80595126 | Benzenamine, 3-bromo-4-(trifluoromethyl)- | EN300-157478 | AKOS007930806 | SCHEMBL1039295 | Z1269216268 | 3-Bromo-4-(trifluoromethyl)aniline | GS-3882 | VMERAUXEEDONDK-UHFFFAOYSA-N | MFCD12828280 | 3-BROMO-4-TRIFLUOROMETHYLANILINE | CL889

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504768740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768740
• Sonrisas canónicas: C1=CC(=C(C=C1N)Br)C(F)(F)F
• IUPAC Name: 3-bromo-4-(trifluoromethyl)aniline
• InChIKey: VMERAUXEEDONDK-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
• Isómeros SMILES: C1=CC(=C(C=C1N)Br)C(F)(F)F
• Peso molecular: 240
• Reaxy-Rn: 7370538
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7370538&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Alkyl fluoride - Organofluoride - Organobromide - Organohalogen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: 240.020 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 238.956 Da
• Monoisotopic Mass: 238.956 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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