3-((4-Chlorophenyl)thio)isonicotinonitrile CAS 478043-04-8
| CAS No. | 478043-04-8 |
| Molecular Formula | C12H7ClN2S |
| Molecular Weight | 246.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((4-Chlorophenyl)thio)isonicotinonitrile (CAS 478043-04-8), molecular formula C12H7ClN2S and molecular weight 246.72 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution, 3-((4-Chlorophenyl)thio)isonicotinonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 246.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), 3-((4-Chlorophenyl)thio)isonicotinonitrile 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 | C12H7ClN2S |
| Molecular Weight | 246.72 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 4-(3-Chlorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 1707378-70-8)
- 2-((4-Chlorophenyl)thio)nicotinonitrile (CAS 886360-62-9)
- methyl 3-(3-chlorophenyl)-1H-pyrazole-5-carboxylate (CAS 1187360-62-8)
- 1-(3-Chlorophenyl)-2-(ethylsulfonyl)ethanone (CAS 1344041-27-5)
- 1-(4-Chlorophenyl)-2-(ethylsulfonyl)ethanone (CAS 139268-89-6)
- 2-[2-(2-Chlorophenyl)phenyl]propan-2-ol (CAS 1393441-73-0)
- (3-Chlorophenyl)(3,5-dimethylphenyl)methanol (CAS 844683-54-1)
- (3-Chlorophenyl)(4-ethylphenyl)methanol (CAS 844683-55-2)
Recommended Standards
- 2-Chloro-4-phenylthieno[2,3-d]pyrimidine (CAS 56844-18-9)
- 4-Chloro-2-(thiophen-3-yl)quinazoline (CAS 924068-56-4)
- 2-Chloro-3-(2-thienyl)quinoxaline (CAS 71266-18-7)
- 4-Chloro-2-phenylthieno[2,3-d]pyrimidine (CAS 56843-80-2)
- 2,5-bis(chloromethyl)-1,3,4-oxadiazole (CAS 541540-90-3)
- 4-Chloro-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-benzenesulfonamide (CAS 379726-28-0)
- 1-((Trifluoromethoxy)methyl)cyclobutan-1-amine hydrochloride (CAS 2439013-88-2)
- 2-(3-Bromophenyl)-3-(5-chloro-2-hydroxyphenyl)thiazolidin-4-one (CAS 388604-55-5)
- 2-((4-Methoxy-N-phenylphenyl)sulfonamido)-N-phenylacetamide (CAS 339013-40-0)
- 4-Amino-2,3-dihydro-1h-inden-2-ol (CAS 913296-60-3)
- 1-[2-Bromo-1-(tert-butoxy)ethyl]-4-methoxybenzene (CAS 72912-33-5)
- 3-Fluoro-4-(methylsulfonyl)benzaldehyde (CAS 254878-95-0)
- 4-Benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole (CAS 119397-08-9)
- Biotinyl-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802086-28-7)
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