6-Chloro-2,4-difluoro-3-methylbenzonitrile CAS 2415751-66-3
| CAS No. | 2415751-66-3 |
| Molecular Formula | C8H4ClF2N |
| Molecular Weight | 187.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-Chloro-2,4-difluoro-3-methylbenzonitrile (CAS 2415751-66-3), molecular formula C8H4ClF2N and molecular weight 187.57 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-Chloro-2,4-difluoro-3-methylbenzonitrile (C8H4ClF2N) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. 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 187.57 g/mol, it falls into the medium-molecular-weight range. 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 | C8H4ClF2N |
| Molecular Weight | 187.57 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.) | 2000 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 2-(4-Chloro-3,5-difluorophenyl)acetonitrile (CAS 1000540-50-0)
- 4-Chloro-5-(difluoromethyl)-2-fluorothiazole (CAS 105315-45-5)
- 2-chloro-2-(2,4-difluorophenyl)acetonitrile (CAS 1250050-25-9)
- 2-Chloro-6-(difluoromethyl)benzonitrile (CAS 1261440-44-1)
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Recommended Standards
- 4-Chloro-2,6-difluorophenylacetonitrile (CAS 537033-53-7)
- 5-Chloro-4-methyl-2-nitrophenol (CAS 100278-74-8)
- 4-(Chlorodifluoromethyl)benzonitrile (CAS 51012-21-6)
- N-(6-Chloro-3-oxo-2,3-dihydropyridazin-4-yl)acetamide (CAS 100367-79-1)
- 2-Oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarbohydrazide (CAS 242797-51-9)
- Thalidomide-NH-PEG3-NH-Boc (CAS 2204246-03-5)
- 4-tert-butoxycarbonyl-1,4-oxazepane-7-carboxylic acid (CAS 1926190-19-3)
- (3-(3-Methylureido)phenyl)boronic acid (CAS 191171-56-9)
- 2-Chloro-6-cyclopropylpyridine-3-carbonitrile (CAS 1198475-35-2)
- 6780-49-0 Ethyl N-phenylformimidate Methanimidic acid, N-phenyl-, ethyl ester EINECS 229-841-3 Ethyl isoformanilide Ethylisoformanilide (CAS 6780-49-0)
- 2-(((1-Acetylpiperidin-3-yl)methyl)(isopropyl)amino)acetic acid (CAS 1353987-79-7)
- (S)-2-amino-3-methyl-N-(5-methylpyridin-2-yl)butanamide hydrochloride (CAS 1585095-27-7)
- 1-tert-Butyl 2-ethyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate (CAS 180854-46-0)
- (D-Tyr1,N-Me-Phe3)-Neuropeptide FF (H-4752.0001) (CAS 145274-93-7)
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