2-Chlorobenzyl isocyanate 1-Chloro-2-(isocyanatomethyl)benzene o-Chlorobenzyl isocyanate 55204-93-8 CAS 55204-93-8
| CAS No. | 55204-93-8 |
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-Chlorobenzyl isocyanate 1-Chloro-2-(isocyanatomethyl)benzene o-Chlorobenzyl isocyanate 55204-93-8 (C8H12ClNO) is characterized by an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
CATO supplies 2-Chlorobenzyl isocyanate 1-Chloro-2-(isocyanatomethyl)benzene o-Chlorobenzyl isocyanate 55204-93-8 (CAS 55204-93-8), a certified reference material (molecular formula C8H12ClNO, MW 173.64 g/mol) for analytical method development and quality control.
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.) | 1972 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobenzyl Standards
- (2-Chlorobenzyl)(methyl)sulfane (CAS 57984-15-3)
- (3-Chlorobenzyl)(methyl)sulfane (CAS 76354-13-7)
- (4-Chlorobenzyl)(methyl)sulfane (CAS 5925-82-6)
- N-(2-chlorobenzyl)ethanamine (CAS 62924-61-2)
- N-(2-Chlorobenzyl)formamide (CAS 86386-66-5)
- N-(4-Chlorobenzyl)formamide (CAS 86386-67-6)
- 2-(2-Chlorobenzyl)oxirane (CAS 62826-19-1)
- 2-(4-Chlorobenzyl)aziridine (CAS 37102-56-0)
Recommended Standards
- 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)
- Ranitidine Impurity 20 (CAS 82301-45-9)
- 1-chloro-4-(isocyanatomethyl)benzene 30280-44-5 F2160-0004 (CAS 30280-44-5)
- Allidochlor (CAS 93-71-0)
- 2-Phenylquinoline-4-thiol (CAS 35379-05-6)
- 1-[2-(Trimethylsilyl)ethynyl]cyclopentan-1-ol (CAS 71321-24-9)
- 4-(4-Bromo-1H-pyrazol-1-yl)-N,N-diethylbenzenesulfonamide (CAS 1199773-40-4)
- 1-(5-Chloro-2-methoxyphenyl)-N-methylmethanamine (CAS 823188-85-8)
- 3-((Tert-butoxycarbonyl)amino)-5-(4-chlorophenyl)thiophene-2-carboxylic acid (CAS 688763-38-4)
- (1R,2R)-2-Fluorocyclopropanecarboxylic acid (CAS 127199-13-7)
- 1-(2'-Hydroxy-[1,1'-biphenyl]-4-yl)ethan-1-one (CAS 21849-93-4)
- N-Methyl-3-(piperidin-2-yl)isoxazole-4-carboxamide (CAS 1334499-44-3)
- Posaconazole impurity 236 (CAS CATO-C4X-1208236)
- Renin Inhibitor Peptide (CAS 50410-01-0)
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