2,3,6-Trichlorobenzonitrile CAS 4681-11-2
| CAS No. | 4681-11-2 |
| Molecular Formula | C7H2Cl3N |
| Molecular Weight | 206.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2,3,6-Trichlorobenzonitrile (CAS 4681-11-2) is a high-purity analytical reference standard with the molecular formula C7H2Cl3N and a molecular weight of 206.46 g/mol.
2,3,6-Trichlorobenzonitrile (C7H2Cl3N) contains a nitrile group, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C7H2Cl3N |
| Molecular Weight | 206.46 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.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Trichlorobenzonitrile Standards
Recommended Standards
- 2,4,6-Trichlorophenylisocyanide (CAS 157766-10-4)
- (S)-2-Amino-4,4,4-trichlorobutanoic acid (CAS 53518-91-5)
- 4-Bromo-2-(chloromethyl)pyridine (CAS 1001463-32-6)
- 1,2-Bis(trimethylsiloxy)ethane 2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane 1,3-bis(trimethylsiloxy)ethane Ethylene glycol bis(trimethylsilyl ether) 1,2-Bis-trimethylsilanyloxy-ethane ethylenedioxybis(trimethylsilane) 1,2-bis(trimethylsilyloxy)ethane ethylenedioxybistrimethylsilane 1,2 bis(trimethylsilyloxy) ethane 1,2-bis-(trimethylsilyloxy)ethane 7381-30-8 S02325 (CAS 7381-30-8)
- Methyl 3-(3-amino-1H-1,2,4-triazol-5-yl)-propanoate hydrochloride (CAS 1332528-76-3)
- 3-Bromo-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-4-ol (CAS 2379241-93-5)
- 2-Methanesulfonylcyclohexan-1-one (CAS 16096-71-2)
- N-(4-Chloro-2-methylphenyl)-5-methylisoxazole-4-carboxamide (CAS 61643-37-6)
- Rocuronium Impurity 52 (CAS 82467-84-3)
- 3-Ethynylbenzenesulfonic acid (CAS 1446996-74-2)
- 1-(tert-Butyl)-2-((tetrahydrofuran-2-yl)methyl)hydrazinecarboxylic acid (CAS 349111-21-3)
- 3-((2-Chlorobenzyl)amino)propanoic acid (CAS 849616-08-6)
- Ethyl (3-chloro-5-(trifluoromethyl)pyridin-2-yl)glycinate (CAS 246022-36-6)
- HA Peptide (CAS 92000-76-5)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com