1-Chloromethyl-2,4-diisocyanatobenzene CAS 51979-57-8
| CAS No. | 51979-57-8 |
| Molecular Formula | C9H5ClN2O2 |
| Molecular Weight | 208.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Chloromethyl-2,4-diisocyanatobenzene is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Chloromethyl-2,4-diisocyanatobenzene (CAS 51979-57-8), molecular formula C9H5ClN2O2 and molecular weight 208.60 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H5ClN2O2, 1-Chloromethyl-2,4-diisocyanatobenzene contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 208.60 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 1-Chloromethyl-2,4-diisocyanatobenzene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H5ClN2O2 |
| Molecular Weight | 208.60 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 6-Bromo-7-chloro-2-methylquinazolin-4(3H)-one (CAS 1698026-73-1)
- 6-Chloro-N-(furan-2-ylmethyl)-2-(methylthio)pyrimidin-4-amine (CAS 478258-65-0)
- 4-Chloro-2-(chloromethyl)thieno[3,2-d]pyrimidine (CAS 147005-92-3)
- 5-(4-fluorophenyl)-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 307341-18-0)
- 5-(4-Fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 351494-47-8)
- (S)-3-(4-chlorophenyl)pyrrolidine (CAS 1336399-03-1)
- Semaglutide Impurity 5 (CAS 23406-82-8)
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