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

CAS: 92367-11-8 Cat. No.: T162224 Molecular Weight: 279.06 EC Number: 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

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

Specifications & Purity

≥95%(HPLC)

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1CBr)C2(N=N2)C(F)(F)F
• PubChem CID: 10826496
• Molecular Weight: 279.06
• Reaxy-Rn: 3548101

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light & heat & air sensitive
• Refractive Index: 1.51
• Flash Point(°C): 114 °C
• Molecular Weight: 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

References

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]