1,3-Dioxoisoindoline-2-carbonitrile CAS 63571-77-7
| CAS No. | 63571-77-7 |
| Molecular Formula | C9H4N2O2 |
| Molecular Weight | 172.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 172.14 g/mol gives 1,3-Dioxoisoindoline-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1,3-Dioxoisoindoline-2-carbonitrile (CAS 63571-77-7), molecular formula C9H4N2O2 and molecular weight 172.14 g/mol, is a CATO reference standard with documented purity and traceability.
1,3-Dioxoisoindoline-2-carbonitrile (C9H4N2O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C9H4N2O2 |
| Molecular Weight | 172.14 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Nitrogen Atoms | 2 |
Related Dioxoisoindoline Standards
- 1,3-Dioxoisoindoline-5-carbonitrile (CAS 34613-09-7)
- 2-Methyl-1,3-dioxoisoindoline-5-carbonitrile (CAS 1784509-60-9)
- 1,3-Dioxoisoindoline-4-carboxylic acid (CAS 776-22-7)
- 2-Methyl-1,3-dioxoisoindoline-4-carboxylic acid (CAS 1707393-56-3)
- 2-Methyl-1,3-dioxoisoindoline-5-carboxylic acid (CAS 42710-39-4)
- Methyl 1,3-dioxoisoindoline-2-carboxylate (CAS 25543-10-6)
- 1,3-Dioxoisoindoline-2-carbothioamide (CAS 112486-72-3)
- 1,3-Dioxoisoindoline-2-carbonyl chloride (CAS 5511-75-1)
Recommended Standards
- 1-(4-Hydroxy-5-methyl-2-oxo-2,5-dihydrofuran-3-yl)urea (CAS 855457-64-6)
- 1-(2-methoxyethyl)imidazolidine-2,4,5-trione (CAS 40411-22-1)
- 1,4,8-Trioxaspiro[4.5]decane-7,9-dione (CAS 32296-88-1)
- [3,3'-Bioxazolidine]-2,2'-dione (CAS 89533-03-9)
- Ethyl 4-chloro-2-methoxybenzoate (CAS 220389-33-3)
- 4-Methoxy-2-Methylnicotinonitrile (CAS 902171-51-1)
- (2-Bromo-5-(difluoromethyl)-3-methoxypyridin-4-yl)methanamine (CAS 1805340-30-0)
- 4-Isopropyl-2,3-dihydro-1H-inden-1-one (CAS 535969-37-0)
- Lansoprazole Impurity 10 (CAS 1083100-27-9)
- 2-(((Benzyloxy)carbonyl)amino)ethane-1-sulfonic acid (CAS 119225-23-9)
- ML323 (CAS 1572414-83-5)
- Dibenzo[b,d]furan-2,8-diylbis(phenylmethanone) (CAS 29021-89-4)
- 1-Isopropyl-7-thia-2-azaspiro[3.5]nonane (CAS 2138059-47-7)
- Tirzepatide Impurity 13 (CAS CATO-C4X-324013)
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