5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid CAS 160384-40-7
| CAS No. | 160384-40-7 |
| Molecular Formula | C21H21ClN4O4S |
| Molecular Weight | 460.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid (CAS 160384-40-7), molecular formula C21H21ClN4O4S and molecular weight 460.93 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 460.93 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H21ClN4O4S |
| Molecular Weight | 460.93 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Benzisothiazol Standards
- 2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-Dimethyl Ester (CAS 160384-39-4)
- 5-[4-(1,2-BEnzisothiazol-3-yl)piperazin-1-yl]-5-oxopentanoic acid (CAS 2108519-47-5)
- 4-[4-(1,2-Benzisothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid (CAS 1030429-68-5)
- 3-[(1,2-Benzisothiazol-3-ylcarbonyl)amino]-4-methylbenzoic acid (CAS 950360-17-5)
- 3-[(1,2-Benzisothiazol-3-ylcarbonyl)amino]-benzoic acid (CAS 1031651-14-5)
- 1,2-Benzisothiazol-3(2H)-one, 2-hexyl- (CAS 122277-20-7)
- 1,2-Benzisothiazol-3(2H)-one,4-methoxy-,1,1-dioxide (CAS 92115-37-2)
- 84387-89-3 1,2-Benzisothiazol-3-amine, 5-nitro- DTXSID90233360 (CAS 84387-89-3)
Recommended Standards
- 1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}butyl)-4,4-dimethylpiperidine-2,6-dione (CAS 338792-97-5)
- Gefitinib impurity 62 (CAS CATO-C4X-111762)
- N-(3-Acetylphenyl)-2-chloro-5-(N-(4-fluorophenyl)-N-methylsulfamoyl)benzamide (CAS 865279-64-7)
- Ziprasidone Impurity 65 (CAS CATO-C4X-124065)
- 1-(Isoquinolin-5-ylsulfonyl)piperidin-4-amine (CAS 110883-96-0)
- n-(4-Iodo-3-methoxyphenyl)acetamide (CAS 1311316-43-4)
- (S)-2-amino-3-(4-hydroxycyclohexyl)propanoic acid (CAS 585566-51-4)
- 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile (CAS 20802-15-7)
- Cholic Acid Impurity 69 (CAS 105660-11-5)
- 4-(Aminomethyl)-2,6-difluorophenol (CAS 252664-89-4)
- Ethyl 2-(2,4-dichlorobenzyl)-5-(dimethylamino)-3-oxo-4-pentenoate (CAS 866017-66-5)
- 2-(Aminomethyl)-3-fluorophenol hydrochloride (CAS 2094868-94-5)
- Cefpiramide sodium (CAS 74849-93-7)
- Semaglutide Impurity 160 (x TFA Salt) (CAS CATO-C4X-2226160)
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