1-chloro-4-(isocyanatomethyl)benzene 30280-44-5 F2160-0004 CAS 30280-44-5
| CAS No. | 30280-44-5 |
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-chloro-4-(isocyanatomethyl)benzene 30280-44-5 F2160-0004 is closely related to an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-chloro-4-(isocyanatomethyl)benzene 30280-44-5 F2160-0004 (CAS 30280-44-5), a certified reference material (molecular formula C8H12ClNO, MW 173.64 g/mol) for analytical method development and quality control.
Structurally, 1-chloro-4-(isocyanatomethyl)benzene 30280-44-5 F2160-0004 (C8H12ClNO) contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 173.64 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H12ClNO |
| Molecular Weight | 173.64 g/mol |
| Appearance | 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 |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1965 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 1-(chloromethyl)-4-isocyanato-benzene 1-(chloromethyl)-4-isocyanatobenzene 29173-65-7 A819795 (CAS 29173-65-7)
- 4-Chlorophenoxyacetonitrile 2-(4-chlorophenoxy)acetonitrile (4-chloro-phenoxy)-acetonitrile 4-chloro-o-cyanomethylphenol (4-chlorophenoxy)-acetonitrile p-chlorophenoxyacetonitrile 3598-13-8 (CAS 3598-13-8)
- 28479-22-3 Benzene, 2-chloro-4-isocyanato-1-methyl- 3-Chloro-p-tolyl isocyanate 3-Chloro-4-methylphenyl isocyanate EINECS 249-050-7 EC 249-050-7 3-Chloro-4-methylphenyl isocyanate [UN2236] [Poison] UN2236 (CAS 28479-22-3)
- 2-Chlorobenzyl isocyanate 1-Chloro-2-(isocyanatomethyl)benzene o-Chlorobenzyl isocyanate 55204-93-8 (CAS 55204-93-8)
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