Cas no 90587-10-3 (Butyryl-2,2-d2 Chloride)
Butyryl-2,2-d2 Chloride is a deuterated derivative of butyryl chloride, where two hydrogen atoms at the 2-position are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for tracking and mechanistic studies. The compound retains the reactivity of butyryl chloride, making it suitable for acylation reactions in organic synthesis. Its deuterated form minimizes interference from proton signals, improving analytical precision in kinetic and metabolic research. Butyryl-2,2-d2 Chloride is particularly valuable in pharmaceutical and biochemical applications, where isotopic labeling is critical for elucidating reaction pathways or studying molecular interactions.
Butyryl-2,2-d2 Chloride structure
Product Name:Butyryl-2,2-d2 Chloride
CAS No:90587-10-3
MF:C4H7ClO
MW:108.563103914261
CID:798501
PubChem ID:89505162
Update Time:2025-06-07
Butyryl-2,2-d2 Chloride Chemical and Physical Properties
Names and Identifiers
-
- Butyryl-2,2-d2 chloride(7CI)
- BUTYRYL-2,2-D2 CHLORIDE
- SCHEMBL14867832
- 90587-10-3
- 2,2-dideuteriobutanoyl chloride
- (2,2-?H?)butanoyl chloride
- MFCD01074147
- D99427
- Butyryl-2,2-d2 Chloride
-
- Inchi： 1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3/i3D2
- InChI Key： DVECBJCOGJRVPX-SMZGMGDZSA-N
- SMILES： ClC(C([2H])([2H])CC)=O
Computed Properties
- Exact Mass: 108.031
- Monoisotopic Mass: 108.031
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 51.5
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 1.6
Butyryl-2,2-d2 Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B810511-10mg |
Butyryl-2,2-d2 Chloride |
90587-10-3 | 10mg |
$ 64.00 | 2023-09-08 | ||
| TRC | B810511-50mg |
Butyryl-2,2-d2 Chloride |
90587-10-3 | 50mg |
$ 81.00 | 2023-04-18 | ||
| TRC | B810511-100mg |
Butyryl-2,2-d2 Chloride |
90587-10-3 | 100mg |
$ 115.00 | 2023-04-18 | ||
| A2B Chem LLC | AH84586-1g |
BUTYRYL-2,2-D2 CHLORIDE |
90587-10-3 | 1g |
$492.00 | 2024-05-20 |
Butyryl-2,2-d2 Chloride Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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