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
Product Name:3-Bromofluorobenzene-13C6
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 Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
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 |
1173020-50-2 | 10mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B703820-50mg |
3-Bromofluorobenzene-13C6 |
1173020-50-2 | 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 |
1173020-50-2 | 2.5mg |
$ 718.00 | 2023-04-18 | ||
| TRC | B703820-.5mg |
3-Bromofluorobenzene-13C6 |
1173020-50-2 | .5mg |
$ 161.00 | 2023-04-18 |
3-Bromofluorobenzene-13C6 Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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