4-Chloro-1-(2-chloro-benzyl)-3-isothiocyanato-1h-pyrazole CAS 1004194-61-9
| CAS No. | 1004194-61-9 |
| Molecular Formula | C11H7Cl2N3S |
| Molecular Weight | 284.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Chloro-1-(2-chloro-benzyl)-3-isothiocyanato-1h-pyrazole (CAS 1004194-61-9), molecular formula C11H7Cl2N3S and molecular weight 284.16 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H7Cl2N3S, 4-Chloro-1-(2-chloro-benzyl)-3-isothiocyanato-1h-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 284.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H7Cl2N3S |
| Molecular Weight | 284.16 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-1-(4-chloro-benzyl)-3-isothiocyanato-1h-pyrazole (CAS 1004194-59-5)
- 4-Chloro-2-((3-chlorobenzyl)amino)thiazole-5-carbonitrile (CAS 866155-94-4)
- 2-Chloro-3-[(4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 1022394-33-7)
- 2-Chloro-3-(3-chloropropyl)-6-ethoxyquinoline (CAS 948294-63-1)
- 2-Chloro-N-(4-chlorobutyl)-N-methylquinazolin-4-amine (CAS 84347-13-7)
- 6-Chloro-N2-(1-(4-chlorophenyl)ethyl)-1,3,5-triazine-2,4-diamine (CAS 116366-87-1)
- 2-Chloro-N-((5-(4-chlorophenyl)furan-2-yl)methyl)acetamide (CAS 851814-17-0)
- 2-Chloro-N-(3-(4-chlorophenyl)-1-methyl-1h-pyrazol-5-yl)acetamide (CAS 655235-37-3)
Recommended Standards
- Tert-butyl 3-(1,3,6,2-dioxazaborocan-2-yl)pyrrolidine-1-carboxylate (CAS 1072944-29-6)
- 1-(2,4-Dichlorobenzyl)-4-isothiocyanato-1h-pyrazole (CAS 1004193-57-0)
- (4'-(Pentan-3-yloxy)-[1,1'-biphenyl]-4-yl)boronic acid (CAS 1072944-31-0)
- 1-(2,6-Dichlorobenzyl)-4-isothiocyanato-1h-pyrazole (CAS 1004193-55-8)
- quinoxalin-5-ylmethanamine;hydrochloride (CAS 1956322-37-4)
- 4,5,6,7-Tetrahydro-1,3-benzothiazole (CAS 4433-49-2)
- 2-Oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)acetic acid (CAS 934489-58-4)
- 2-Chloro-1-(6-(ethylsulfonyl)-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)ethan-1-one (CAS 1198475-23-8)
- 4-Benzoyl-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CAS 1326809-45-3)
- 3,3-Dimethyl-1-phenoxybutan-2-one (CAS 39199-22-9)
- Ethyl 3-(4-chloro-3-fluorophenoxy)propanoate (CAS 1443354-26-4)
- 4-((Tert-butyldimethylsilyl)oxy)-4-oxobutanoic acid (CAS 885519-54-0)
- Ethyl 2-({5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}sulfanyl)propanoate (CAS 339101-35-8)
- Peptide YY (canine, mouse, porcine, rat) trifluoroacetate salt (CAS 81858-94-8)
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