2-Chloro-4-(3-(3-methyl-4-nitrophenyl)ureido)benzene-1-sulfonyl chloride CAS 680617-73-6
| CAS No. | 680617-73-6 |
| Molecular Formula | C14H11Cl2N3O5S |
| Molecular Weight | 404.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Chloro-4-(3-(3-methyl-4-nitrophenyl)ureido)benzene-1-sulfonyl chloride (CAS 680617-73-6) is a high-purity analytical reference standard with the molecular formula C14H11Cl2N3O5S and a molecular weight of 404.23 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 2-Chloro-4-(3-(3-methyl-4-nitrophenyl)ureido)benzene-1-sulfonyl chloride is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 404.23 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C14H11Cl2N3O5S |
| Molecular Weight | 404.23 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 2-[(2-Chloro-6-fluorophenyl)methyl]-4-[(1E)-{[(4-chlorophenyl)methyl]imino}methyl]benzene-1,3-diol (CAS 339017-56-0)
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Recommended Standards
- 1-Acetyl-3(5)-nonafluorobutyl-5(3)-phenylpyrazole (CAS 511243-92-8)
- 3-(5-(4-Bromophenyl)furan-2-yl)-2-(furan-2-ylsulfonyl)acrylonitrile (CAS 853407-08-6)
- Metosulam-5-hydroxy (CAS 156759-52-3)
- (2S,4S)-4-(4-Bromo-3-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid (CAS 1354486-45-5)
- 5-(Benzyloxy)-6-bromo-1H-indazole (CAS 1206800-86-3)
- 8-Chloroquinolin-7-ol (CAS 1261670-97-6)
- 7-Chloro-4-iodo-3-methylthieno[2,3-c]pyridine (CAS 2306274-98-4)
- 1-Methylbenzimidazole-6-carboxylic Acid (CAS 53484-18-7)
- 2-Bromo-N-(2-bromophenyl)butanamide (CAS 1037586-23-4)
- 1,2,4-thiadiazol-3-amine (CAS 56531-89-6)
- 3-Phenyl-1H-pyrrole-2-carbonitrile (CAS 61926-96-3)
- Ethyl 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carboxylate (CAS 119825-14-8)
- Ac-Gln-NH2 (E-2865.0250) (CAS 18839-88-8)
- Semaglutide Impurity 188 (CAS CATO-C4X-2226188)
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