(4-(Trifluoromethyl)benzo[d]oxazol-2-yl)methanol CAS 1804086-07-4
| CAS No. | 1804086-07-4 |
| Molecular Formula | C9H6F3NO2 |
| Molecular Weight | 217.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (4-(Trifluoromethyl)benzo[d]oxazol-2-yl)methanol.
(4-(Trifluoromethyl)benzo[d]oxazol-2-yl)methanol (CAS 1804086-07-4), molecular formula C9H6F3NO2 and molecular weight 217.14 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H6F3NO2, (4-(Trifluoromethyl)benzo[d]oxazol-2-yl)methanol contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 217.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H6F3NO2 |
| Molecular Weight | 217.14 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethyl Standards
- 8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 1187984-10-6)
- 7-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 1215325-65-7)
- 3-(Trifluoromethyl)-5H-pyrano[4,3-b]pyridin-8(7H)-one (CAS 1260663-39-5)
- 4-Acetyl-6-(trifluoromethyl)picolinaldehyde (CAS 1393558-01-4)
- 2-Acetyl-6-(trifluoromethyl)isonicotinaldehyde (CAS 1393567-31-1)
- [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methanol (CAS 1394041-51-0)
- 3-(5-Methyl-2-(trifluoromethyl)furan-3-yl)-3-oxopropanenitrile (CAS 175276-72-9)
- 6-(Trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 189940-04-3)
Recommended Standards
- 3-[5-(Trifluoromethoxy)pyridin-2-yl]prop-2-yn-1-ol (CAS 1873171-84-6)
- 4-Isocyanato-1-methoxy-2-(trifluoromethyl)benzene (CAS 16588-76-4)
- 2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene (CAS 16588-75-3)
- 1-[(e)-2-nitroethenyl]-2-(trifluoromethyl)benzene (CAS 192818-73-8)
- 2-Chloro-1-(6-fluoropyridin-2-yl)ethan-1-one (CAS 949154-23-8)
- 5,6-Dichloro-2-(2-chloropyridin-3-yl)-1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazole (CAS 337920-72-6)
- 1-Methyl-1,6-diazaspiro[3.5]nonane (CAS 1268521-55-6)
- 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carbonyl chloride (CAS 175277-00-6)
- 2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4-amine (CAS 85730-32-1)
- Deoxyfuconojirimycin (hydrochloride) (CAS 210174-73-5)
- (E)-3-(dimethylamino)-1-(1-isopropyl-2-methyl-1H-imidazol-5-yl)prop-2-en-1-one (CAS 403792-85-8)
- Ethyl 6-chloro-4-(trifluoromethyl)selenopheno[2,3-b]pyridine-2-carboxylate (CAS 2948445-81-4)
- 6-Ethyl-2-hydroxy-5-methylnicotinic acid (CAS 889939-68-8)
- Tirzepatide-d7 Ditrifluoroacetate (CAS CATO-CPTD788698)
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