1-benzyl-4-(chloromethyl)-1H-pyrazole CAS 861204-95-7
| CAS No. | 861204-95-7 |
| Molecular Formula | C11H11ClN2 |
| Molecular Weight | 206.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 206.67 g/mol gives 1-benzyl-4-(chloromethyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-benzyl-4-(chloromethyl)-1H-pyrazole (CAS 861204-95-7), molecular formula C11H11ClN2 and molecular weight 206.67 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H11ClN2, 1-benzyl-4-(chloromethyl)-1H-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 206.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C11H11ClN2 |
| Molecular Weight | 206.67 g/mol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related benzyl Standards
- 3-(Chloromethyl)-1-(4-methylphenyl)-1h-pyrazole (CAS 1482710-08-6)
- [5-(chloromethyl)-1-methyl-pyrazol-3-yl]methyl acetate (CAS 2489244-22-4)
- 1-(Chloromethyl)-2-methoxynaphthalene (CAS 67367-39-9)
- 1-(Chloromethyl)-4-methoxynaphthalene (CAS 72771-24-5)
- 1-Benzyl-3-(chloromethyl)-1H-pyrazole (CAS 211946-09-7)
- 1-Benzyl-5-(chloromethyl)-1H-imidazole (CAS 784182-26-9)
- 2-(Chloromethyl)-6-methoxynaphthalene (CAS 41790-33-4)
- 2-Benzyl-4-(chloromethyl)furan (CAS 33486-19-0)
Recommended Standards
- 1-Benzyl-5-chloro-3-methyl-1H-pyrazole (CAS 861585-71-9)
- 2-((Chloromethoxy)methyl)naphthalene (CAS 914300-10-0)
- 1-(4-Chloro-phenyl)-3,5-dimethyl-1H-pyrazole (CAS 51560-55-5)
- 2-(2-Chloroethoxy)naphthalene (CAS 3383-79-7)
- (3,4-Diamino-1-ethyl-1H-pyrazol-5-yl)methanol (CAS 199341-99-6)
- N-[(3-Chloro-4-methoxyphenyl)methyl]-3-nitrobenzamide (CAS 478259-43-7)
- 2-((Tert-butoxycarbonyl)amino)-2-(1-methylpiperidin-4-yl)acetic acid (CAS 1429015-55-3)
- N-Dansyl-1,6-diaminohexane, 97% (CAS 34995-01-2)
- N-methyl-3-(1-methylpyrrolidin-2-yl)-N-phenylpyridin-2-amine (CAS 1352516-56-3)
- 3',5'-Dimethoxy-[1,1'-biphenyl]-3-carbaldehyde (CAS 1242339-52-1)
- 5-Bromo-2-chloro-4-ethylpyrimidine (CAS 2743721-82-4)
- 10-([1,1'-Biphenyl]-4-yl)-2-isopropyl-9-oxo-9,10-dihydrothioxanthylium hexafluorophosphate(V) (CAS 591773-92-1)
- 1-(4-(4-Chlorophenyl)-4h-1,2,4-triazol-3-yl)-N-methylmethanamine dihydrochloride (CAS 1426290-24-5)
- Semaglutide impurity 37 (CAS CATO-C4X-222637)
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