(3R,6S,9R)-5,6,7,8,9,10-Hexahydro-5-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3 CAS 623165-93-5
| CAS No. | 623165-93-5 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrile group, chlorine substitution, an aromatic ring system, (3R,6S,9R)-5,6,7,8,9,10-Hexahydro-5-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3 is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 167.60 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
(3R,6S,9R)-5,6,7,8,9,10-Hexahydro-5-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3 (CAS 623165-93-5) is a high-purity analytical reference standard with the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (3R,6S,9R)-5,6,7,8,9,10-Hexahydro-5-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3 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 | C7H6ClN3 |
| Molecular Weight | 167.60 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 6-Chloro-2-methyl-2H-pyrazolo[4,3-c]pyridine (CAS 1956327-01-7)
- 1-(azidomethyl)-2-chlorobenzene (CAS 63777-70-8)
- 6-Chloropyrazolo[1,5-a]pyridin-5-amine (CAS 1951428-41-3)
- 1-(Azidomethyl)-4-chlorobenzene (CAS 27032-10-6)
- SALMF amide 1 (S1) (CAS 866459-07-6)
- 1,3-Dibromo-5-isopropoxybenzene (CAS 1112210-82-8)
- 5-Isobutyl-3-methylisoxazole (CAS 41027-36-5)
- 3-methylpyridazin-4-amine (CAS 90568-13-1)
- Istradefylline Impurity 26 (CAS CATO-C4X-106126)
- (S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoate (CAS 832127-84-1)
- 3-(Furan-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane (CAS 1082489-98-2)
- 7-(1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)ethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 303151-82-8)
- Benzyl ((1s,4s)-4-formylcyclohexyl)carbamate (CAS 917022-26-5)
- Fibrinogen Related Peptide (CAS 80755-86-8)
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