4 - Fluoro - 3 - methylbenzoyl chloride 4-Fluoro-3-methyl-benzoyl chloride 4-fluoro-m-toluoyl chloride 455-84-5 benzoyl chloride, 4-fluoro-3-methyl- CAS 455-84-5
| CAS No. | 455-84-5 |
| Molecular Formula | C8H6ClFO |
| Molecular Weight | 172.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4 - Fluoro - 3 - methylbenzoyl chloride 4-Fluoro-3-methyl-benzoyl chloride 4-fluoro-m-toluoyl chloride 455-84-5 benzoyl chloride, 4-fluoro-3-methyl- (CAS 455-84-5), molecular formula C8H6ClFO and molecular weight 172.58 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4 - Fluoro - 3 - methylbenzoyl chloride 4-Fluoro-3-methyl-benzoyl chloride 4-fluoro-m-toluoyl chloride 455-84-5 benzoyl chloride, 4-fluoro-3-methyl- (C8H6ClFO) contains a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 172.58 g/mol, it falls into the medium-molecular-weight range. 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 | C8H6ClFO |
| Molecular Weight | 172.58 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F/Cl-containing |
Related Fluoro Standards
- 2-Fluoro-3-methylbenzoyl chloride (CAS 1000339-85-4)
- 2-Fluoro-5-methylbenzoyl chloride (CAS 135564-61-3)
- 3-Fluoro-5-(chloromethyl)benzaldehyde (CAS 1378801-94-5)
- 3-Fluoro-2-methylbenzoyl chloride (CAS 168080-76-0)
- 2-Fluoro-4-methylbenzoyl chloride (CAS 59189-98-9)
- 3-Fluoro-5-methyl-benzoyl Chloride (CAS 886497-77-4)
- 4-Fluoro-2-methylbenzoyl chloride, 98% (CAS 21900-43-6)
- 5-Fluoro-2-methylbenzoyl Chloride (CAS 21900-39-0)
Recommended Standards
- 286474-59-7 4-Chloro-2-fluoro-3-formyltoluene 6-Chloro-2-fluoro-m-tolualdehyde 6-chloro-2-fluoro-3-methylbenzaldehyde (CAS 286474-59-7)
- 3 - Fluoro - 4 - methylbenzoyl chloride 3-Fluoro-4-methyl-benzoyl chloride 59189-97-8 benzoyl chloride, 3-fluoro-4-methyl- (CAS 59189-97-8)
- 2-Chloro-1-(2-fluorophenyl)ethan-1-one (CAS 53688-17-8)
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