3-Mercapto-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 326616-08-4
| CAS No. | 326616-08-4 |
| Molecular Formula | C11H9F3N2S |
| Molecular Weight | 258.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Mercapto-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Mercapto-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 326616-08-4), a certified reference material (molecular formula C11H9F3N2S, MW 258.26 g/mol) for analytical method development and quality control.
Based on its molecular formula C11H9F3N2S, 3-Mercapto-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 258.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-Mercapto-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 | C11H9F3N2S |
| Molecular Weight | 258.26 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Mercapto Standards
- 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 306935-92-2)
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- 6-Mercapto-1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1416344-86-9)
- 6-Mercapto-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 923784-01-4)
- 1-ethyl-2-mercapto-1H-benzimidazole-5-sulfonamide (CAS 795291-33-7)
- 3-(5-Mercapto-4-methyl-4H-1,2,4-triazol-3-yl)naphthalen-2-ol (CAS 312523-49-2)
- (3-Mercapto-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid (CAS 309283-89-4)
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Recommended Standards
- 4-(5-(Ethylsulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CAS 890095-76-8)
- 2,3-Difluoro-4-(hexyloxy)benzoic acid (CAS 2082696-88-4)
- 5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine (CAS 300819-51-6)
- 2-(5-Methylthiazol-2-yl)-5-(trifluoromethyl)aniline (CAS 923946-08-1)
- Methyl 5-bromo-2-chlorothiophene-3-carboxylate (CAS 1243475-64-0)
- 2-(3-(4-Hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-N-methyl-N-propylacetamide (CAS 1309793-38-1)
- tert-Butyl2-cyanoindoline-1-carboxylate (CAS 753480-67-0)
- 2-Amino-5-(3-chloro-4-methylphenyl)pyridine (CAS 1314987-57-9)
- 3-(3-Bromophenyl)-1-(3-chlorophenyl)propan-1-one (CAS 898782-39-3)
- Methyl 3-chloro-4-cyanobenzoate (CAS 214759-66-7)
- 2,4-Dibromo-5-isopropylthiazole (CAS 1823346-89-9)
- (4-(Ethoxymethyl)-3-fluorophenyl)boronic acid (CAS 1334218-48-2)
- 1-[4-(4-fluorophenoxy)phenyl]ethanone (CAS 35114-93-3)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
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