Cas no 286367-77-9 (2-Chloro-acetyl-2-13C Chloride)
2-Chloro-acetyl-2-13C Chloride is a stable isotope-labeled compound used as a versatile intermediate in organic synthesis and pharmaceutical research. The incorporation of carbon-13 (13C) at the 2-position enables precise tracking in metabolic studies and NMR spectroscopy, enhancing analytical accuracy. This reagent is particularly valuable for synthesizing isotopically labeled pharmaceuticals, agrochemicals, and other fine chemicals, where isotopic purity is critical. Its reactive chloroacetyl group facilitates efficient acylation reactions, making it a useful building block for complex molecular structures. The compound is supplied with high isotopic enrichment and chemical purity, ensuring reliable performance in research and industrial applications. Proper handling under inert conditions is recommended due to its moisture sensitivity.
286367-77-9 structure
Product Name:2-Chloro-acetyl-2-13C Chloride
CAS No:286367-77-9
MF:C2H2Cl2O
MW:113.93533372879
CID:5730178
PubChem ID:71309121
Update Time:2025-05-24
2-Chloro-acetyl-2-13C Chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-acetyl-2-13C Chloride
- Chloroacetyl chloride-2-13C, 99 atom % 13C
- SCHEMBL1331358
- 286367-77-9
-
- Inchi: 1S/C2H2Cl2O/c3-1-2(4)5/h1H2/i1+1
- InChI Key: VGCXGMAHQTYDJK-OUBTZVSYSA-N
- SMILES: Cl[13CH2]C(=O)Cl
Computed Properties
- Exact Mass: 112.9516249g/mol
- Monoisotopic Mass: 112.9516249g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 42.9
- 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: 1.4
- Topological Polar Surface Area: 17.1?2
2-Chloro-acetyl-2-13C Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C363170-50mg |
2-Chloro-acetyl-2-13C Chloride |
286367-77-9 | 50mg |
$ 155.00 | 2023-04-18 | ||
| TRC | C363170-100mg |
2-Chloro-acetyl-2-13C Chloride |
286367-77-9 | 100mg |
$ 293.00 | 2023-04-18 | ||
| TRC | C363170-250mg |
2-Chloro-acetyl-2-13C Chloride |
286367-77-9 | 250mg |
$ 800.00 | 2023-09-08 |
2-Chloro-acetyl-2-13C Chloride Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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