1-Methyl-5-(trifluoromethyl)-1h-pyrazole-3-carbonitrile CAS 1245823-99-7
| CAS No. | 1245823-99-7 |
| Molecular Formula | C6H4F3N3 |
| Molecular Weight | 175.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-3-carbonitrile is closely related to a nitrile group, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-3-carbonitrile (CAS 1245823-99-7), a certified reference material (molecular formula C6H4F3N3, MW 175.11 g/mol) for analytical method development and quality control.
Based on its molecular formula C6H4F3N3, 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-3-carbonitrile contains a nitrile group, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 175.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H4F3N3 |
| Molecular Weight | 175.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
- 2-(3-(Trifluoromethyl)-1h-pyrazol-1-yl)acetonitrile (CAS 1006348-71-5)
- 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 1049772-79-3)
- 5-Methyl-2-(trifluoromethyl)furan-3-carbonitrile (CAS 1053656-28-2)
- 3-(Trifluoromethyl)isonicotinaldehyde (CAS 1060801-92-4)
- 2-(Trifluoromethyl)nicotinaldehyde (CAS 116308-35-1)
- 1-methyl-3-(trifluoromethyl)-1h-pyraZole-5-carbonitrile (CAS 1316223-15-0)
- 3-(Trifluoromethyl)pyridine-2-carboxaldehyde (CAS 131747-62-1)
- 5-(Trifluoromethyl)nicotinaldehyde (CAS 131747-67-6)
Recommended Standards
- 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carbonitrile (CAS 1216241-07-4)
- 2,5-Dioxopyrrolidin-1-yl 2-fluoroacetate (CAS 1265226-50-3)
- 4-(Trifluoromethyl)picolinaldehyde (CAS 132470-83-8)
- 6-(Difluoromethyl)-3-fluoropicolinaldehyde (CAS 1803665-97-5)
- (R)-2-Amino-2-(benzo[d][1,3]dioxol-5-yl)acetic acid (CAS 62177-00-8)
- N,N-Diethyl-1-((pyridin-3-ylmethyl)thio)propan-2-amine (CAS 102206-57-5)
- 2-Thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide (CAS 1312812-72-8)
- 2-Cyano-3-(4-methoxyphenyl)-N-(o-tolyl)propanamide (CAS 1260998-16-0)
- Sulfur Dioxide (CAS 7446-09-5)
- Biotin-C2-S-S-pyridine (CAS 112247-65-1)
- 1-Iminohexahydro-1lambda6-thiopyran-4-carbonitrile 1-oxide (CAS 2232916-50-4)
- 2-Acetylpyrazine (CAS 22047-25-2)
- 2-chloro-N-(piperidin-4-yl)benzamide hydrochloride (CAS 1835590-54-9)
- Uremic Pentapeptide (CAS 71494-20-7)
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