1,3-Dichloro-2-ethynyl-5-(trifluoromethyl)benzene CAS 1356113-18-2
| CAS No. | 1356113-18-2 |
| Molecular Formula | C9H3Cl2F3 |
| Molecular Weight | 239.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1,3-Dichloro-2-ethynyl-5-(trifluoromethyl)benzene (C9H3Cl2F3) contains fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 239.02 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1,3-Dichloro-2-ethynyl-5-(trifluoromethyl)benzene (CAS 1356113-18-2), molecular formula C9H3Cl2F3 and molecular weight 239.02 g/mol, is a CATO reference standard with documented purity and traceability.
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.
CATO manufactures 1,3-Dichloro-2-ethynyl-5-(trifluoromethyl)benzene 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 | C9H3Cl2F3 |
| Molecular Weight | 239.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1991 |
| Halogen Content | F/Cl-containing |
Related Dichloro Standards
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Recommended Standards
- 6-Chloro-3-(chlorodifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 478248-89-4)
- 5-Bromo-2-(difluoromethoxy)pyridin-3-amine (CAS 1429421-79-3)
- 5-Bromo-4,4,5,5-tetrafluoro-1-pentanol (CAS 222725-20-4)
- 5-Bromo-2-(2,2-difluoroethoxy)pyrimidine (CAS 1557875-06-5)
- 7-Chloro-8-quinolinol (CAS 876-86-8)
- Ethyl 4-(pyrimidin-2-ylamino)benzoate (CAS 959928-89-3)
- 3-{[4-(Tetrahydro-2H-pyran-2-yloxy)benzyl]oxy}propanenitrile (CAS 1353499-79-2)
- 2-Hydroxypropane-1,3-diyl bis(2-methylacrylate) (CAS 1830-78-0)
- 1-Cyclopropyl-2-methoxyethan-1-one (CAS 166526-05-2)
- 5-Chloro-3-phenylbenzofuran-2-carboxamide (CAS 26965-48-0)
- 8-Cyclopropyl-4,4-dimethylthiochroman-6-carbaldehyde (CAS 1350761-70-4)
- 6-Imino-1,6-dihydropyridine-3-carboxylic acid hydrochloride (CAS 5336-87-8)
- 5-Bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine (CAS 1190311-16-0)
- Semaglutide impurity 289 (CAS CATO-C4X-2226289)
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