3-(3-Oxobut-1-en-1-yl)benzonitrile CAS 30626-01-8
| CAS No. | 30626-01-8 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(3-Oxobut-1-en-1-yl)benzonitrile.
CATO supplies 3-(3-Oxobut-1-en-1-yl)benzonitrile (CAS 30626-01-8), a certified reference material (molecular formula C11H9NO, MW 171.20 g/mol) for analytical method development and quality control.
The molecular framework of 3-(3-Oxobut-1-en-1-yl)benzonitrile (C11H9NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C11H9NO |
| Molecular Weight | 171.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 1965 |
| Nitrogen Atoms | 1 |
Related Oxobut Standards
- 1-(2-Acetyl-3-oxobut-1-en-1-yl)urea (CAS 6971-56-8)
- 4-(3-Oxobut-1-yn-1-yl)benzonitrile (CAS 951234-87-0)
- (E)-4-(3-oxobut-1-en-1-yl)benzaldehyde (CAS 802954-26-3)
- (E)-4-Oxobut-2-en-1-yl benzoate (CAS 118017-13-3)
- Methyl 5-(3-oxobut-1-en-1-yl)furan-2-carboxylate (CAS 1344867-12-4)
- n-(4-(3-Oxobut-1-en-1-yl)phenyl)acetamide (CAS 55420-72-9)
- Ethyl 4-oxobut-2-enoate (CAS 4038-33-9)
- Methyl 4-oxobut-2-enoate (CAS 7327-99-3)
Recommended Standards
- 3-(1h-Indol-3-yl)acrylaldehyde (CAS 923293-03-2)
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- 3-(1H-indazol-1-yl)propanenitrile (CAS 23300-94-9)
- 3-(Diethoxymethyl)-4h-1,2,4-triazole (CAS 33824-15-6)
- 3,3-Dimethyl-2-oxaspiro[4.5]decan-8-one (CAS 1889268-73-8)
- 2-Amino-4,6-dimethylpyrimidin-5-ol (CAS 685897-68-1)
- 6-Isopropoxypyridazine-4-carboxylic acid (CAS 1437433-23-2)
- 5-Difluoromethoxy-2-fluoronicotinic acid (CAS 1803809-65-5)
- 2-amino-N-(2-hydroxyethyl)acetamide (CAS 75007-28-2)
- 3-(Difluoromethyl)-4,5-difluoropicolinaldehyde (CAS 1806016-34-1)
- 1-(2-Bromophenyl)-1H-imidazole (CAS 190198-35-7)
- N-Cyclopropyl-2-mercapto-1,3-benzothiazole-5-carboxamide (CAS 1087448-66-5)
- (Bromomethyl)cyclohexane-d11 (CAS 1219794-79-2)
- Prolactin-Releasing Peptide (1-31) (rat) (CAS 215510-06-8)
Why CATO?
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