1-Chloro-2-isocyano-3-methylbenzene CAS 118923-96-9
| CAS No. | 118923-96-9 |
| Molecular Formula | C8H6ClN |
| Molecular Weight | 151.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-Chloro-2-isocyano-3-methylbenzene (CAS 118923-96-9), molecular formula C8H6ClN and molecular weight 151.59 g/mol, is a CATO reference standard with documented purity and traceability.
1-Chloro-2-isocyano-3-methylbenzene (C8H6ClN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C8H6ClN |
| Molecular Weight | 151.59 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 |
| 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 5-Chloro-2-(prop-2-yn-1-yl)pyridine (CAS 1260672-19-2)
- 2,2'-((6-Phenyl-1,3,5-triazine-2,4-diyl)bis(methylazanediyl))diethanol (CAS 52298-72-3)
- 3-Hydroxy-1-(4-methoxyphenyl)cyclobutane-1-carbonitrile (CAS 1481409-11-3)
- 3-(Diphenylmethylene)indolin-2-one (CAS 94878-34-9)
- 5-Amino-N-(4-fluorophenyl)-3-methylisoxazole-4-carboxamide (CAS 131738-14-2)
- 4-Fluoro-N-(4,5,6,7-tetrahydrobenzofuran-4-yl)benzamide (CAS 620941-98-2)
- (1-(Furan-2-ylmethyl)cyclopropyl)methanamine (CAS 1464902-51-9)
- 677-24-7 M0904 Methyl Dichlorophosphate Methyl Phosphorodichloridate (CAS 677-24-7)
- Fmoc-L-2-amino-6-(O,O-diethyl-phosphono)hexanoicacid (CAS 1217805-35-0)
- 8-Chloro-4-fluoro-3-hydroxy-1,6-naphthyridin-2(1H)-one (CAS 1228009-58-2)
- Semaglutide impurity 260 (CAS CATO-C4X-2226260)
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