3-((3-(Trifluoromethyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 692287-39-1
| CAS No. | 692287-39-1 |
| Molecular Formula | C25H18F6N2S |
| Molecular Weight | 492.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-((3-(Trifluoromethyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 692287-39-1), molecular formula C25H18F6N2S and molecular weight 492.48 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((3-(Trifluoromethyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (C25H18F6N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 492.48 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO manufactures 3-((3-(Trifluoromethyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-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 | C25H18F6N2S |
| Molecular Weight | 492.48 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- N-[3-(Trifluoromethyl)phenyl]-4-{4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzamide (CAS 321430-21-1)
- 3-Methyl-4-[3-(trifluoromethyl)benzoyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 317833-58-2)
- (Z)-3-(((3-(trifluoromethyl)benzoyl)oxy)imino)-1-(3-(trifluoromethyl)benzyl)indolin-2-one (CAS 303996-92-1)
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Recommended Standards
- 1-(3-(1H-Imidazol-1-yl)propyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 618080-98-1)
- 3-(2,4-Dihydroxybenzylidene)-5-(4-methoxyphenyl)furan-2(3H)-one (CAS 6621-92-7)
- 2-(6-(6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)hex-5-yn-1-yl)isoindoline-1,3-dione (CAS 146905-68-2)
- Z-Glu(OBzl)-ONp (CAS 49689-66-9)
- 2-Amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridine (CAS 1214901-53-7)
- Ethyl 1-(pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylate (CAS 1440961-57-8)
- 4-Butoxy-3-ethoxybenzoic acid (CAS 101268-36-4)
- (E)-3-Hexenedioic Acid (CAS 29311-53-3)
- LCZ-696 Impurity 14 (CAS CATO-C4X-169614)
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, copper(2+) sodium salt (CAS 65330-59-8)
- 2-[(Methoxyimino)methyl]-N~1~,N~3~-bis[3-(trifluoromethyl)phenyl]malonamide (CAS 245039-50-3)
- Methyl 2-(2-iodo-3,4-dimethoxyphenyl)acetate (CAS 1806331-60-1)
- 3-(1h-1,3-Benzodiazol-2-yl)cyclohexan-1-amine (CAS 933759-56-9)
- Neuropeptide S (human) (CAS 412938-67-1)
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