Cas no 1173020-50-2 (3-Bromofluorobenzene-13C6)

3-Bromofluorobenzene-13C6 is a stable isotope-labeled aromatic compound, where all six carbon atoms are replaced with the 13C isotope. This labeling enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry, providing improved sensitivity and resolution for structural and mechanistic studies. The presence of both bromo and fluoro substituents on the benzene ring allows for selective functionalization, making it valuable in synthetic chemistry and pharmaceutical research. Its high isotopic purity ensures minimal interference in tracer experiments. The compound is particularly useful in metabolic pathway analysis, reaction mechanism elucidation, and isotope dilution techniques, where precise tracking of molecular transformations is required.
3-Bromofluorobenzene-13C6 structure
3-Bromofluorobenzene-13C6 structure
Product Name:3-Bromofluorobenzene-13C6
CAS No:1173020-50-2
MF:13C6BrF
MW:181
CID:1058067
PubChem ID:71309107
Update Time:2025-06-08

3-Bromofluorobenzene-13C6 Chemical and Physical Properties

Names and Identifiers

    • 3-Bromofluorobenzene-[13C6]
    • 3-BROMOFLUOROBENZENE (13C6, 99%) CHEMICAL PURITY 95%
    • 3-Bromofluorobenzene-13C6
    • Inchi: 1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
    • InChI Key: QDFKKJYEIFBEFC-IDEBNGHGSA-N
    • SMILES: [13C]1(F)=[13CH][13CH]=[13CH][13C](Br)=[13CH]1

Computed Properties

  • Exact Mass: 179.96817g/mol
  • Monoisotopic Mass: 179.96817g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 74.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available

3-Bromofluorobenzene-13C6 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B703820-5mg
3-Bromofluorobenzene-13C6
1173020-50-2
5mg
$ 1286.00 2023-04-18
TRC
B703820-10mg
3-Bromofluorobenzene-13C6
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10mg
$ 70.00 2022-06-06
TRC
B703820-50mg
3-Bromofluorobenzene-13C6
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50mg
$ 230.00 2022-06-06
TRC
B703820-25mg
3-Bromofluorobenzene-13C6
1173020-50-2
25mg
$ 3000.00 2023-09-08
TRC
B703820-0.5mg
3-Bromofluorobenzene-13C6
1173020-50-2
0.5mg
$ 140.00 2023-04-01
TRC
B703820-2.5mg
3-Bromofluorobenzene-13C6
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2.5mg
$ 718.00 2023-04-18
TRC
B703820-.5mg
3-Bromofluorobenzene-13C6
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.5mg
$ 161.00 2023-04-18
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