4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid CAS 696646-61-4
| CAS No. | 696646-61-4 |
| Molecular Formula | C8H10ClN3O4 |
| Molecular Weight | 247.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 247.64 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid (CAS 696646-61-4), a certified reference material (molecular formula C8H10ClN3O4, MW 247.64 g/mol) for analytical method development and quality control.
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 | C8H10ClN3O4 |
| Molecular Weight | 247.64 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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- Ethyl 3-(4-chloro-3-nitro-1h-pyrazol-1-yl)propanoate (CAS 1004644-11-4)
- 2-Chloro-4-(3-furan-2-yl-[1,2,4]oxadiazol-5-yl)-pyridine (CAS 1119506-10-3)
- 4-(4-Chloro-3-methyl-5-nitro-1H-pyrazol-1-yl)butanoic acid (CAS 1170804-87-1)
- 5-Chloro-2-(pyrazolo[1,5-a]pyrazin-3-yl)pyrimidin-4-ol (CAS 1330044-05-7)
- 3-Chloro-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one (CAS 83809-91-0)
- 4-Chloro-2-methyl-6-nitroquinoline-3-carbonitrile (CAS 915369-76-5)
- 4-Chloro-7-methyl-6-nitroquinoline-3-carbonitrile (CAS 915369-63-0)
- 6-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pyridin-2(1H)-one (CAS 596825-56-8)
Recommended Standards
- 2-((6-Amino-3-chloro-5-nitropyrazin-2-yl)(methyl)amino)ethanol (CAS 88793-49-1)
- 1-(4-Chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylic acid (CAS 98476-34-7)
- 1-(4-Chlorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 75837-75-1)
- 6-Chloro-3-(1H-1,2,4-triazol-3-yl)-4H-chromen-4-one (CAS 60723-56-0)
- 1-Methyl-phthalan (CAS 38189-85-4)
- Propan-2-yl 3-amino-3-(4-methylphenyl)propanoate hydrochloride (CAS 1049772-89-5)
- 2-prop-2-enylpropanedioic acid dimethyl ester 40637-56-7 A825209 dimethyl 2-prop-2-enylpropanedioate (CAS 40637-56-7)
- 2-Chloro-N-(4,5-di-p-tolylthiazol-2-yl)acetamide (CAS 726157-04-6)
- 5-Formylpyrimidine-4-carboxylic acid (CAS 133510-35-7)
- 4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CAS 265107-02-6)
- 5-Bromo-2(trifluoromethyl)pyridine (CAS 261952-17-4)
- (R)-2-(3,5-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)ethan-1-one (CAS 1421607-32-0)
- 1,7-naphthyridine, 2-chloro- (CAS 35192-05-3)
- [3-31]-Semaglutide D (CAS C152H230N42O47)
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