2-Chloro-n-(cyanomethyl)acetamide CAS 20301-57-9
| CAS No. | 20301-57-9 |
| Molecular Formula | C4H5ClN2O |
| Molecular Weight | 132.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
2-Chloro-n-(cyanomethyl)acetamide (CAS 20301-57-9), molecular formula C4H5ClN2O and molecular weight 132.55 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Chloro-n-(cyanomethyl)acetamide (C4H5ClN2O) contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 132.55 g/mol, it falls into the low-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H5ClN2O |
| Molecular Weight | 132.55 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole (CAS 3914-42-9)
- 3-(Chloromethyl)-4-methyl-1,2,5-oxadiazole (CAS 62642-47-1)
- 3-Chloro-1-methyl-1H-pyrazol-4-ol (CAS 2685800-18-2)
- But-3-yn-1-yl carbonochloridate (CAS 190774-49-3)
- (S)-1-(3-bromo-5-methoxyphenyl)propan-1-amine (CAS 1388631-08-0)
- 3-Bromo-2-(trifluoromethyl)aniline (CAS 244246-71-7)
- 3,6-Dibromoimidazo[1,2-a]pyrazin-8-amine (CAS 117718-87-3)
- 1-(4-Chlorobenzyl)-1H-benzimidazole-2-thiol (CAS 100622-93-3)
- Methyl 2-amino-4,6-dichlorobenzoate (CAS 147494-04-0)
- 3-Amino-6-bromo-5-(trifluoromethyl)picolinic acid (CAS 1334546-32-5)
- 3-(3-Nitro-1h-pyrazol-1-yl)propanoic acid (CAS 1004644-63-6)
- Nabumetone Impurity 2 (CAS 65726-24-1)
- 5-Amino-3-(2-methoxyphenyl)isoxazole (CAS 54606-19-8)
- Semaglutide impurity 72 (CAS CATO-C4X-222672)
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