2-Chloro-3-fluorobenzonitrile CAS 874781-08-5
| CAS No. | 874781-08-5 |
| Molecular Formula | C7H3ClFN |
| Molecular Weight | 155.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Chloro-3-fluorobenzonitrile is closely related to a nitrile group, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-Chloro-3-fluorobenzonitrile (CAS 874781-08-5), a certified reference material (molecular formula C7H3ClFN, MW 155.56 g/mol) for analytical method development and quality control.
Owing to a nitrile group, fluorine/chlorine substitution, an aromatic ring system, 2-Chloro-3-fluorobenzonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 155.56 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C7H3ClFN |
| Molecular Weight | 155.56 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 3-Chloro-2-fluorophenylisocyanide (CAS 1030269-27-2)
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- 3-Chloro-4-fluorobenzonitrile (CAS 117482-84-5)
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- 5-Chloro-2-ethynyl-3-fluoropyridine (CAS 1256808-79-3)
Recommended Standards
- 1-Chloro-4-Fluoro-1-Nitrobutane (CAS 63732-17-2)
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- 4-Chloro-3-ethynyl-5-fluoropyridine (CAS 1824202-13-2)
- 2-Chloro-6-fluorobenzonitrile (CAS 668-45-1)
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