5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile CAS 951753-87-0
| CAS No. | 951753-87-0 |
| Molecular Formula | C8H2F3N3S |
| Molecular Weight | 229.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile 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.
5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile (CAS 951753-87-0) is a high-purity analytical reference standard with the molecular formula C8H2F3N3S and a molecular weight of 229.18 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 229.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C8H2F3N3S |
| Molecular Weight | 229.18 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Isothiocyanato Standards
- 3-Isothiocyanato-1-(2-methyl-benzyl)-1h-pyrazole (CAS 1004193-32-1)
- 4-Isothiocyanato-1-(4-methyl-benzyl)-1h-pyrazole (CAS 1004193-45-6)
- 4-Isothiocyanato-1-(3-methyl-benzyl)-1h-pyrazole (CAS 1004193-51-4)
- 3-Isothiocyanato-1-(4-methyl-benzyl)-1h-pyrazole (CAS 1004194-38-0)
- 4-Isothiocyanato-N-methylbenzenesulfonamide (CAS 223785-90-8)
- 1-Isothiocyanato-9-methylsulfanylnonane (CAS 4430-40-4)
- 1-Isothiocyanato-8-(methylsulfinyl)octane (CAS 75272-81-0)
- 1-Isothiocyanato-4-[(trifluoromethyl)thio]benzene (CAS 189281-95-6)
Recommended Standards
- 4-((3,4-Difluorophenyl)amino)-4-oxobutanoic acid (CAS 438619-08-0)
- Ethyl [(3,4-difluorophenyl)carbamoyl]formate (CAS 333441-81-9)
- 4-((2,5-Difluorophenyl)amino)-4-oxobutanoic acid (CAS 503425-60-3)
- Ethyl 2-((2,4-difluorophenyl)amino)-2-oxoacetate (CAS 333441-80-8)
- [4-(3,5-dimethylphenoxy)-3-methylphenyl]methanamine (CAS 1184580-00-4)
- (2-Bromophenyl)(2-methoxy-5-methylphenyl)methanol (CAS 1283019-66-8)
- (S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine (CAS 1388131-95-0)
- 2-Chloro-N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide (CAS 1091172-12-1)
- 3-(1,1-Difluoroethyl)aniline hydrochloride (CAS 1803593-33-0)
- (R)-Oxirane-2-carboxylate (potassium) (CAS 82044-23-3)
- Ethyl 2-ethyl-6-hydroxybenzoate (CAS 82064-77-5)
- 5-[1-(4-Butoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS 1046006-43-2)
- 2-(5-Phenylfuran-2-yl)cyclopropanecarboxylic acid (CAS 1315347-74-0)
- Tirzepatide Impurity 20 (CAS CATO-C4X-324020)
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