3-Ethynyl-4-fluorobenzonitrile CAS 133960-64-2
| CAS No. | 133960-64-2 |
| Molecular Formula | C9H4FN |
| Molecular Weight | 145.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-Ethynyl-4-fluorobenzonitrile (C9H4FN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. 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 145.13 g/mol, it falls into the low-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-Ethynyl-4-fluorobenzonitrile (CAS 133960-64-2), molecular formula C9H4FN and molecular weight 145.13 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.
As a certified reference material (CRM), 3-Ethynyl-4-fluorobenzonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H4FN |
| Molecular Weight | 145.13 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Ethynyl Standards
- 5-Ethynyl-2-fluorobenzonitrile (CAS 1093306-86-5)
- 2-Ethynyl-4-fluorobenzonitrile (CAS 1208076-36-1)
- 2-Ethynyl-6-fluorobenzonitrile (CAS 1233509-91-5)
- 2-Ethynyl-5-fluorobenzonitrile (CAS 1378823-86-9)
- 4-Ethynyl-3-fluorobenzonitrile (CAS 1581281-30-2)
- 4-Ethynyl-2-fluorobenzonitrile (CAS 167858-57-3)
- 2-Ethynyl-3-fluorobenzonitrile (CAS 1848959-59-0)
- 3-Ethynyl-2-fluorobenzonitrile (CAS 2043403-57-0)
Recommended Standards
- (2R)-2-amino-2-(3-fluorofuran-2-yl)ethan-1-ol (CAS 1391359-61-7)
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- (2S)-2-amino-2-(3-fluorofuran-2-yl)ethan-1-ol (CAS 1391368-89-0)
- <I>cis</I>-urocanic acid-1,2,3-<SUP>13</SUP>C<SUB>3</SUB> (CAS 1173097-34-1)
- 1-(1-Propyl-1H-pyrazol-4-yl)-N-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methyl)methanamine hydrochloride (CAS 1856081-50-9)
- 1-((4-Fluorophenyl)thio)cyclobutane-1-carboxylic acid (CAS 1487119-72-1)
- 2-[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (CAS 866152-59-2)
- {[2-(Benzyloxy)phenyl]methyl}(2-methylpropyl)amine hydrochloride (CAS 1158516-29-0)
- 2-(1-Aminocyclohexyl)-6-isopropylpyrimidin-4(3H)-one hydrochloride (CAS 1333688-81-5)
- (R)-4-(1-Amino-2-methylpropyl)benzonitrile hydrochloride (CAS 1213584-51-0)
- 2-(3-Nitrobenzyl)thiazole-5-carbaldehyde (CAS 2734878-13-6)
- 3-(2,3-Dimethylbenzenesulfonyl)-4,6-dimethyl-1,2-dihydropyridin-2-one (CAS 866143-35-3)
- 4-FLUORO-2-METHYL-1H-INDOLE-5-CARBALDEHYDE (CAS 1367866-83-8)
- Tirzepatide Impurity 44 (CAS CATO-C4X-324044)
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