3-Bromo-4-methyl-5-(trifluoromethyl)benzonitrile CAS 2383004-77-9
| CAS No. | 2383004-77-9 |
| Molecular Formula | C9H5BrF3N |
| Molecular Weight | 264.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-Bromo-4-methyl-5-(trifluoromethyl)benzonitrile (CAS 2383004-77-9), molecular formula C9H5BrF3N and molecular weight 264.04 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Bromo-4-methyl-5-(trifluoromethyl)benzonitrile (C9H5BrF3N) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 3-Bromo-4-methyl-5-(trifluoromethyl)benzonitrile 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 | C9H5BrF3N |
| Molecular Weight | 264.04 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 |
| 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.) | 1999 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 4-Bromo-6-(trifluoromethyl)-1H-indole (CAS 1000342-93-7)
- 2-(2-Bromo-6-(trifluoromethyl)phenyl)acetonitrile (CAS 1159512-49-8)
- 2-(4-Bromo-3-(trifluoromethyl)phenyl)acetonitrile (CAS 1159512-69-2)
- 5-Bromo-6-(trifluoromethyl)-1H-indole (CAS 1198475-24-9)
- 2-(2-Bromo-3-(trifluoromethyl)phenyl)acetonitrile (CAS 1214339-44-2)
- 2-(3-Bromo-4-(trifluoromethyl)phenyl)acetonitrile (CAS 1214372-42-5)
- 2-(3-Bromo-5-(trifluoromethyl)phenyl)acetonitrile (CAS 1214384-00-5)
- 7-Bromo-4-(trifluoromethyl)indole (CAS 1260649-67-9)
Recommended Standards
- 3-(Bromomethyl)-5-(trifluoromethyl)benzonitrile (CAS 669080-79-9)
- 4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile (CAS 853368-32-8)
- 2-Fluoro-5-iodo-4-methylbenzaldehyde (CAS 2385987-18-6)
- 4-Bromo-2-(trifluoromethyl)indole (CAS 955978-75-3)
- (S)-3-Amino-3-cyclopropyl-2,2-difluoropropan-1-ol hydrochloride (CAS 2287237-26-5)
- 41398-85-0 5-Methyl-2-pyrimidinone 2(1H)-Pyrimidinone, 5-methyl- (CAS 41398-85-0)
- 4-tert-Butyl-1,3-oxazole (CAS 52713-54-9)
- 2-Iodo-N-((1-methyl-1h-pyrazol-4-yl)methyl)aniline (CAS 1152582-86-9)
- beta-Nicotyrine (CAS 487-19-4)
- (E)-3-(4-(((3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylic acid (CAS 14364-05-7)
- (7-Fluoro-1H-indazol-4-yl)boronic acid (CAS 2121513-84-4)
- Methyl 3-(3,5-dimethylisoxazol-4-yl)propanoate (CAS 154928-90-2)
- (1-(sec-Butyl)pyrrolidin-3-yl)methanamine (CAS 914202-85-0)
- Semaglutide Impurity 148 (CAS CATO-C4X-2226148)
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