5-chloro-2-isocyanatobenzonitrile CAS 64411-72-9
| CAS No. | 64411-72-9 |
| Molecular Formula | C8H3ClN2O |
| Molecular Weight | 178.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 5-chloro-2-isocyanatobenzonitrile (CAS 64411-72-9), a certified reference material (molecular formula C8H3ClN2O, MW 178.58 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H3ClN2O, 5-chloro-2-isocyanatobenzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 178.58 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C8H3ClN2O |
| Molecular Weight | 178.58 g/mol |
| Appearance | Pale yellow to 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related chloro Standards
- 6-Chloro-1,3-benzoxazole-2-carbonitrile (CAS 1172606-59-5)
- 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CAS 1311275-24-7)
- 2-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CAS 1824287-31-1)
- 2-Chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carbonitrile (CAS 1935335-48-0)
- 3-Chloro-1H-pyrazolo[4,3-c]pyridine-7-carbonitrile (CAS 93546-19-1)
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 24391-41-1)
- 5-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile (CAS 66999-73-3)
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Recommended Standards
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- 4-Chlorofuro[3,2-c]pyridine-2-carbonitrile (CAS 220992-52-9)
- 6-Chlorobenzo[d]isoxazole-3-carbonitrile (CAS 52046-83-0)
- S-[1-(2-Aminoacetyl)-pyrrolidin-3-yl]carbamic acid tert-butyl ester (CAS 1354011-45-2)
- 4-(Tert-butyl)-N-(3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl)benzamide (CAS 866013-80-1)
- Ethyl (4-(2-((furan-2-ylmethyl)amino)-2-oxoethyl)thiazol-2-yl)carbamate (CAS 946236-65-3)
- 2-Amino-5,6-dimethoxybenzothiazole (CAS 6294-52-6)
- 2-(Benzyloxy)-4-nitroaniline (CAS 25945-96-4)
- Methyl (1S,4S)-4-((tert-butoxycarbonyl)amino)-3-oxocyclohexane-1-carboxylate (CAS 349494-44-6)
- 4-(Benzylamino)pyridin-2(1H)-one (CAS 95306-61-9)
- 2-Chloro-6-trifluoromethyl-pyrimidine-4-carboxylicacid (CAS 657-53-4)
- Methyl 2-hydroxy-2,3-dimethylbutanoate (CAS 856293-67-9)
- MOTS-c Peptide (CAS 1627580-64-6)
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