3-Chloro-4-ethynylbenzonitrile CAS 914105-98-9
| CAS No. | 914105-98-9 |
| Molecular Formula | C9H4ClN |
| Molecular Weight | 161.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Chloro-4-ethynylbenzonitrile (CAS 914105-98-9), molecular formula C9H4ClN and molecular weight 161.59 g/mol, is a CATO reference standard with documented purity and traceability.
3-Chloro-4-ethynylbenzonitrile (C9H4ClN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. Halogen substitution raises its density and boiling point; 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.
CATO manufactures 3-Chloro-4-ethynylbenzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H4ClN |
| Molecular Weight | 161.59 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 2-(5-Chloro-3-methylisoxazol-4-yl)ethanol (CAS 103245-33-6)
- 3-Chloro-5-ethynylbenzonitrile (CAS 1198354-07-2)
- 3-Chloro-1-ethyl-5-methoxy-1H-1,2,4-triazole (CAS 1330756-30-3)
- 5-Chloro-1-(methoxymethyl)-3-methyl-1H-1,2,4-triazole (CAS 1630763-77-7)
- 3-Chloro-1-(ethoxymethyl)-1H-1,2,4-triazole (CAS 1807977-28-1)
- 2-((4-Chloro-1H-imidazol-5-yl)amino)ethanol (CAS 799815-11-5)
- 4-Chloro-3-ethynylbenzonitrile (CAS 914106-00-6)
- 5-Chloro-1-isopropyl-1H-1,2,4-triazol-3(2H)-one (CAS 42509-62-6)
Recommended Standards
- 3-(3-chlorophenyl)prop-2-ynenitrile (CAS 935528-57-7)
- 4-(Chloromethyl)-3-methoxy-5-methylisoxazole (CAS 75989-22-9)
- 1-(5-(Chloromethyl)isoxazol-3-yl)ethanol (CAS 606488-98-6)
- 5-(3-Chloropropyl)isoxazol-3(2H)-one (CAS 823797-36-0)
- (Carboxymethyl)trimethylarsonium bromide (CAS 71642-15-4)
- Ampicillin oligomer 1 (trimer) (CAS 114977-84-3)
- 5-[4-(difluoromethoxy)phenyl]thiophene-2-carboxylic acid (CAS 1096977-35-3)
- Methyl 3-fluoro-2-methoxy-5-sulfamoylbenzoate (CAS 1375472-35-7)
- Cefalexin (CAS 15686-71-2)
- (2-(Difluoromethyl)-3-fluoro-6-methylpyridin-4-yl)methanamine (CAS 1805531-17-2)
- 5,5'-bis(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)-2,2'-bipyrazine (CAS CATO-C3D-262147)
- 4,5-bis(hydroxymethyl)-1,3-dioxolan-2-one (CAS 147368-80-7)
- Methyl 1-amino-4-(trifluoromethoxy)cyclohexane-1-carboxylate (CAS 2231676-03-0)
- Fibrinogen-Binding Peptide (CAS 137235-80-4)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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