3-Fluoro-5-(trifluorometil)bencilamina - ≥97% , CAS No.150517-77-4

CAS: 150517-77-4 Cat. No.: W133019 Peso molecular: 193.14 Número EC: 624-041-4 PubChem CID: 2733304

GRADE & PURITY ≥97%

Synonyms

3-Fluoro-5-trifluoromethylbenzylamine | 3-Fluoro-5-trifluoromethyl-benzylamine | (3-Fluoro-5-(trifluoromethyl)phenyl)methanamine | SY032571 | 3-Fluoro-5-(trifluoromethyl)benzylamine | AKOS006221192 | Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)- | J-0

Storage

Room temperature

Shipped In

Normal

Descripción general

Se trata de un bloque de construcción arilfluorado.
Se puede emplear como amina para generar diferentes pro-tags basados en tritil, mediante tratamiento con sintetizadores de tritil que contengan grupos carboxilo activados.

Specifications

Sinónimos

3-Fluoro-5-trifluoromethylbenzylamine | 3-Fluoro-5-trifluoromethyl-benzylamine | (3-Fluoro-5-(trifluoromethyl)phenyl)methanamine | SY032571 | 3-Fluoro-5-(trifluoromethyl)benzylamine | AKOS006221192 | Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)- | J-0

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192384
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192384
• Sonrisas canónicas: C1=C(C=C(C=C1C(F)(F)F)F)CN
• IUPAC Name: [3-fluoro-5-(trifluoromethyl)phenyl]methanamine
• InChIKey: ADHUUMWSWNPEMZ-UHFFFAOYSA-N
• INCHI: 1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
• Isómeros SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CN
• WGK Alemania: 3
• PubChem CID: 2733304
• Peso molecular: 193.14

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: Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Organonitrogen compound - Primary amine - 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

• Solubilidad: Insoluble in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.4510
• Punto de inflamación (°F): 170.6 °F
• Punto de inflamación (°C): 77 °C
• Peso molecular: 193.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 193.051 Da
• Monoisotopic Mass: 193.051 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• 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