4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Bromide - ≥95%(HPLC) , CAS No.92367-11-8

CAS: 92367-11-8 Cat. No.: T162224 Peso molecular: 279.06 Número EC: 805-908-8 PubChem CID: 10826496

GRADE & PURITY ≥95%(HPLC)

Synonyms

3-(4-(Bromomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine | 3-[4-(bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirene | T2819 | AS-44057 | 3-[4-(Bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine | AKOS025295920 | BCFUQXOZHPIAPS-UHFFFAOYSA-N | SCHEMBL

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-(4-(Bromomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine | 3-[4-(bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirene | T2819 | AS-44057 | 3-[4-(Bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine | AKOS025295920 | BCFUQXOZHPIAPS-UHFFFAOYSA-N | SCHEMBL

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1CBr)C2(N=N2)C(F)(F)F
• IUPAC Name: 3-[4-(bromomethyl)phenyl]-3-(trifluoromethyl)diazirine
• InChIKey: BCFUQXOZHPIAPS-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrF3N2/c10-5-6-1-3-7(4-2-6)8(14-15-8)9(11,12)13/h1-4H,5H2
• Isómeros SMILES: C1=CC(=CC=C1CBr)C2(N=N2)C(F)(F)F
• PubChem CID: 10826496
• Peso molecular: 279.06
• Reaxy-Rn: 3548101

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Diazirines Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyl bromide - Diazirine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl bromide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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 & heat & air sensitive
• Índice de refracción: 1.51
• Punto de inflamación (°C): 114 °C
• Peso molecular: 279.060 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 277.967 Da
• Monoisotopic Mass: 277.967 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 263.000
• 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

Referencias

1. Kun Li, Kun Liu, Dingxuan Wang, Dongyu Lvyu, Jue Cheng, Junying Zhang, Haobo Zhang, Feng Gao.  (2025)  Fabrication of a foldable transparent conductive electrode with suppressed silver migration based on the anchoring of fluorinated alkyl passivated silver nanowire on the PET surface.  Nanoscale,      [PMID:40827461] [10.1039/D5NR02172C]