2-(7-Methyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile CAS 58138-77-5
| CAS No. | 58138-77-5 |
| Molecular Formula | C11H7NO2 |
| Molecular Weight | 185.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(7-Methyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile (C11H7NO2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 185.18 g/mol, it falls into the medium-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.
2-(7-Methyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile (CAS 58138-77-5), molecular formula C11H7NO2 and molecular weight 185.18 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H7NO2 |
| Molecular Weight | 185.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Nitrogen Atoms | 1 |
Related Methyl Standards
Recommended Standards
- 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetonitrile (CAS 7256-51-1)
- 2-(Dimethylphosphoryl)ethanesulfonamide (CAS 2385358-65-4)
- 2-(4-Oxo-3,4-dihydroquinazolin-2-yl)acetonitrile (CAS 30750-23-3)
- 2-(Furan-2-yl)benzo[d]oxazole (CAS 881-60-7)
- 2-(4-Aminophenoxy)-n-ethylacetamide (CAS 52547-49-6)
- 4-Amino-6-chloro-1,3-benzenedisulfonamide-d6 (CAS 1184995-49-0)
- 1-Methyl-1H-benzo[d]imidazole-2-carboximidhydrazide (CAS 43102-12-1)
- 6,7-Dimethoxynaphthalen-1-ol (CAS 135678-71-6)
- [(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acetic acid (CAS 893781-87-8)
- (S)-2-Amino-4-(3-methoxyphenyl)butanoic acid (CAS 1260611-13-9)
- 1,3,4-Triphenyl-1H-pyrazole (CAS 1666-85-9)
- 2-(3-Chloropropyl)furan (CAS 40517-25-7)
- 0454AD 1185302-02-6 3-(5-Amino-2-ethyl-benzoimidazol-1-yl)-propan-1-ol dihydrochloride C12H19Cl2N3O (CAS 1185302-02-6)
- Semaglutide impurity 36 (CAS CATO-C4X-222636)
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