2-(Benzo[d]isoxazol-3-yl)acetonitrile CAS 50471-17-5
| CAS No. | 50471-17-5 |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(Benzo[d]isoxazol-3-yl)acetonitrile (CAS 50471-17-5), molecular formula C9H6N2O and molecular weight 158.16 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Benzo[d]isoxazol-3-yl)acetonitrile (C9H6N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 158.16 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Nitrogen Atoms | 2 |
Related Benzo Standards
- 2-(Benzo[c]isoxazol-3-yl)acetonitrile (CAS 102908-41-8)
- 2-(2H-benzo[d][1,2,3]triazol-2-yl)acetonitrile (CAS 118521-81-6)
- Benzo[4,5]imidazo[1,2-b]isoxazole (CAS 126581-38-2)
- 1H-Benzo[4,5]imidazo[1,2-c][1,2,3]triazole (CAS 14993-06-7)
- 3-Methyl-benzo[d]isoxazole-5-carbonitrile (CAS 267875-57-0)
- Benzo[1,2-b;4,5-b']difuran (CAS 267-58-3)
- 2-(1H-Benzo[d]imidazol-5-yl)acetonitrile (CAS 110925-52-5)
- 4H-Benzo[d]imidazo[1,5-a]imidazole (CAS 16151-99-8)
Recommended Standards
- 2-(Azidomethyl)benzonitrile (CAS 40508-03-0)
- 2-(Cyanomethoxy)benzonitrile (CAS 49615-99-8)
- 2-(4-Isocyanatophenyl)acetonitrile (CAS 59513-89-2)
- 2-(Imidazo[1,2-a]pyrazin-2-yl)acetonitrile (CAS 57892-74-7)
- (E)-Methyl 3-cyanoacrylate (CAS 925-56-4)
- rel-tert-Butyl (3R,4R)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate (CAS 1248791-15-2)
- 2-Amino-N-(6-methylpyridin-2-yl)benzamide dihydrochloride (CAS 1048650-02-7)
- Hexane-2,5-diyl diacetate (CAS 10299-35-1)
- 2-(3-Oxo-1-(3-phenylallyl)piperazin-2-yl)acetic acid (CAS 1164119-79-2)
- 1-Morpholino-3-(piperidin-3-yl)propan-1-one (CAS 1250765-95-7)
- N-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391875-79-9)
- 4-((((Benzyloxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid (CAS 215120-68-6)
- Ethyl 2-hydroxy-4-(methylamino)benzoate (CAS 476614-96-7)
- Fibrinogen-Binding Inhibitor Peptide (CAS 89105-94-2)
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