1-(4-Chlorophenyl)-3-((4-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 691868-89-0
| CAS No. | 691868-89-0 |
| Molecular Formula | C24H18ClF3N2S |
| Molecular Weight | 458.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 1-(4-Chlorophenyl)-3-((4-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-89-0), a certified reference material (molecular formula C24H18ClF3N2S, MW 458.93 g/mol) for analytical method development and quality control.
Based on its molecular formula C24H18ClF3N2S, 1-(4-Chlorophenyl)-3-((4-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 458.93 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 1-(4-Chlorophenyl)-3-((4-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-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.
Physical & Chemical Properties
| Molecular Formula | C24H18ClF3N2S |
| Molecular Weight | 458.93 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/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 692287-38-0)
- 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606958-26-3)
- Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 361466-22-0)
- (E)-{2-[(4-chlorophenyl)sulfanyl]-1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethylidene}[(4-methoxyphenyl)methoxy]amine (CAS 866131-22-8)
- 4-(4-(4-Chlorophenyl)thiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)benzamide (CAS 338408-10-9)
- 5-(3-Chlorophenyl)-2-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 691873-02-6)
- 1-[(3-Chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 317822-39-2)
- 3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole (CAS 344273-55-8)
Recommended Standards
- (4-Bromophenyl)(5,7-dibromobenzofuran-2-yl)methanone (CAS 83806-75-1)
- 3,4,5-Tris(benzyloxy)benzoyl chloride (CAS 1486-47-1)
- 2,2'-(2-Bromo-5-(difluoromethyl)-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS 2377606-64-7)
- Ethyl 7-(N-acetylacetamido)-2-(4-chlorobenzamido)benzo[b]thiophene-3-carboxylate (CAS 333774-41-7)
- tert-Butyl (3-oxobutyl)carbamate (CAS 54614-95-8)
- (4-Bromophenyl)(3-(methylamino)piperidin-1-yl)methanone hydrochloride (CAS 1830972-95-6)
- (3S,4R,5R)-4,5-Dihydroxyhexahydropyridazine-3-carboxylic acid (CAS 443649-22-7)
- 4-(3-Aminobenzamido)benzene-1-sulfonyl fluoride (CAS 19188-63-7)
- 5-(1-Methyl-1h-pyrazol-4-yl)furan-2-carboxylic acid (CAS 1251141-02-2)
- 2-Formyl-5-methylnicotinic acid (CAS 957786-00-4)
- tert-butyl 2-methyl-1-(2,2,2-trifluoroacetyl)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate (CAS 2387021-36-3)
- 2-(3-chlorofuran-2-yl)-4,5-dimethyl-1,3-oxazole (CAS 1235440-67-1)
- Ethyl (5-chloro-2-hydroxybenzyl)glycinate (CAS 1183756-79-7)
- [Ser39-OH] Tirzepatide (CAS CATO-C4X-324041)
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