1-Chloro-4-isocyanato-2-methylbenzene CAS 51488-20-1
| CAS No. | 51488-20-1 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 1-Chloro-4-isocyanato-2-methylbenzene (C8H6ClNO) is characterized by a nitrogen-containing heterocyclic scaffold, 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
1-Chloro-4-isocyanato-2-methylbenzene (CAS 51488-20-1), molecular formula C8H6ClNO and molecular weight 167.59 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C8H6ClNO |
| Molecular Weight | 167.59 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, water (slightly soluble) |
| 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.) | 1971 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 2-Chloro-4-methylbenzoxazole (CAS 1001185-81-4)
- 4-Chloro-2-methoxybenzonitrile (CAS 100960-68-7)
- 3-Chloro-4-methoxybenzonitrile (CAS 102151-33-7)
- 3-Chloro-5-(hydroxymethyl)benzonitrile (CAS 1021871-35-1)
- 3-Chloro-5-methoxyphenylisocyanide (CAS 1029634-54-5)
- 4-Chloro-3-(hydroxymethyl)benzonitrile (CAS 105191-40-0)
- 2-Chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-one (CAS 1092301-56-8)
- 2-Chloro-5H-cyclopenta[b]pyridin-7(6H)-one (CAS 1150617-92-7)
Recommended Standards
- 1-chloro-3-(isocyanatomethyl)benzene (CAS 56620-45-2)
- 2-(2-Chlorophenoxy)acetonitrile (CAS 43111-31-5)
- (S)-2-chloro-N-(2,3-dihydroxypropyl)acetamide (CAS 847805-29-2)
- 2-(3-Chloro-4-hydroxyphenyl)acetonitrile (CAS 58622-59-6)
- (2R,3R,4S,5R)-2-(2,6-Diamino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol (CAS 80791-88-4)
- 1-Chloro-4-(piperidin-1-yl)phthalazine (CAS 314035-82-0)
- 3,3-Dimethyl-1-((1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)azetidin-2-one (CAS 955976-72-4)
- Benzofuran-3,6-diyl diacetate (CAS 57052-71-8)
- 4-Amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol (CAS 1805216-20-9)
- Methyl 4,4-difluoropiperidine-3-carboxylate (CAS 1303974-55-1)
- β-NAADP · x sodium salt (CAS 5502-96-5)
- 2,4-Dibromo-6-[(1E)-[(4-fluorophenyl)imino]methyl]phenol (CAS 329936-44-9)
- (3E)-3-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethylphenyl)amino]but-3-en-2-one (CAS 339017-33-3)
- (Des-Thr?)-Glucagon trifluoroacetate salt (CAS 1802078-27-8)
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