1-(isocyanatomethyl)-2,4-dimethylbenzene CAS 56651-59-3
| CAS No. | 56651-59-3 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(isocyanatomethyl)-2,4-dimethylbenzene (CAS 56651-59-3) is a high-purity analytical reference standard with the molecular formula C10H11NO and a molecular weight of 161.20 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 1-(isocyanatomethyl)-2,4-dimethylbenzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 161.20 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H11NO |
| Molecular Weight | 161.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | 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.) | 1973 |
| Nitrogen Atoms | 1 |
Related isocyanatomethyl Standards
- 1-ethyl-4-(isocyanatomethyl)benzene (CAS 518976-74-4)
- (Isocyanatomethyl)dimethoxy(methyl)silane (CAS 406679-89-8)
- 1-(Isocyanatomethyl)-2-methoxybenzene (CAS 93489-08-8)
- 4-(Isocyanatomethyl)benzonitrile (CAS 1205556-81-5)
- 1-(isocyanatomethyl)-1-[(methylsulfanyl)methyl]cyclopropane (CAS 1375473-85-0)
- 20392-34-1 3-(Isocyanatomethyl)heptane DTXSID30504400 (CAS 20392-34-1)
- 3-(Isocyanatomethyl)-1,3-diazinane-2,4-dione (CAS 861359-45-7)
- 1-(Isocyanatomethyl)-4-methoxybenzene 4-Methoxybenzyl isocyanate 56651-60-6 (CAS 56651-60-6)
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