2-ChlorobenzoylIsocyanate CAS 4461-34-1
| CAS No. | 4461-34-1 |
| Molecular Formula | C8H4ClNO2 |
| Molecular Weight | 181.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 2-ChlorobenzoylIsocyanate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
2-ChlorobenzoylIsocyanate (CAS 4461-34-1), molecular formula C8H4ClNO2 and molecular weight 181.58 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-ChlorobenzoylIsocyanate (C8H4ClNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 181.58 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.
Physical & Chemical Properties
| Molecular Formula | C8H4ClNO2 |
| Molecular Weight | 181.58 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2-chloro-8H-pyrido[2,3-d]pyrimidin-7-one (CAS 2772659-15-9)
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- 2-Chloro-5-cyanobenzoic acid (CAS 89891-83-8)
- 2-Chloropyrido[3,2-d]pyrimidin-4(3H)-one (CAS 2031259-38-6)
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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