3-Chloro-4-isothiocyanatopyridine CAS 337533-50-3
| CAS No. | 337533-50-3 |
| Molecular Formula | C6H3ClN2S |
| Molecular Weight | 170.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Chloro-4-isothiocyanatopyridine (CAS 337533-50-3), molecular formula C6H3ClN2S and molecular weight 170.62 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H3ClN2S, 3-Chloro-4-isothiocyanatopyridine contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 170.62 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C6H3ClN2S |
| Molecular Weight | 170.62 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) | 6.0 |
| 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 Chloro Standards
- 4-Chloro-3-isothiocyanatopyridine (CAS 1360899-17-7)
- 5-Chloro-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 1501132-54-2)
- 5-Chloro-4-mercaptonicotinonitrile (CAS 1706445-79-5)
- 2-Chloro-3-isothiocyanatopyridine (CAS 50470-12-7)
- 2-Chloro-5-isothiocyanatopyridine (CAS 323588-81-4)
- 3-Chloro-2-isothiocyanatopyridine (CAS 61737-23-3)
- 4-Chloro-2-isothiocyanatopyridine (CAS 68688-94-8)
- 5-Chloro-2-isothiocyanatopyridine (CAS 52648-23-4)
Recommended Standards
- 3-Chloroisothiazolo[3,4-b]pyridine (CAS 42242-09-1)
- 2-Chlorothiazolo[5,4-b]pyridine (CAS 91524-96-8)
- 3-Chloroisothiazolo[5,4-b]pyridine (CAS 913264-70-7)
- 2-Chlorothiazolo[4,5-c]pyridine (CAS 884860-63-3)
- 1-(2,6-Dichlorobenzyl)-3'-(4-methoxyphenyl)spiro[indoline-3,2'-thiazolidine]-2,4'-dione (CAS 400081-78-9)
- N-(5-Bromo-2-chloropyridin-3-yl)acetamide (CAS 886372-73-2)
- 4-Amino-1-phenylpyrazolo[3,4-D]pyrimidine (CAS 5334-30-5)
- 1-Ethynyl-2,2,6-trimethylcyclohexanol (CAS 41613-59-6)
- 5-(2-Chloro-4-iodophenyl)-1,3,4-thiadiazol-2-amine (CAS 1388028-93-0)
- 1-(3-(Furan-2-yl)propanoyl)piperidine-4-carboxylic acid (CAS 1042796-16-6)
- bis(1-[(4-methoxyphenyl)methyl]-1-methylguanidine), sulfuric acid (CAS 1461708-20-2)
- Methyl 4-(3,5-dichlorophenyl)-2-fluorobenzoate (CAS 1361753-08-3)
- 3-Amino-2-(1-phenyl-1H-pyrazol-4-yl)quinazolin-4(3H)-one (CAS 92560-78-6)
- Semaglutide impurity 74 (CAS CATO-C4X-222674)
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