2-Chloro-5-(3-(4-methyl-3-nitrobenzoyl)thioureido)benzoic acid CAS 530137-78-1
| CAS No. | 530137-78-1 |
| Molecular Formula | C16H12ClN3O5S |
| Molecular Weight | 393.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 2-Chloro-5-(3-(4-methyl-3-nitrobenzoyl)thioureido)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
2-Chloro-5-(3-(4-methyl-3-nitrobenzoyl)thioureido)benzoic acid (CAS 530137-78-1) is a high-purity analytical reference standard with the molecular formula C16H12ClN3O5S and a molecular weight of 393.80 g/mol.
Structurally, 2-Chloro-5-(3-(4-methyl-3-nitrobenzoyl)thioureido)benzoic acid (C16H12ClN3O5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 393.80 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C16H12ClN3O5S |
| Molecular Weight | 393.80 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- (E)-1-(1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-indol-3-yl)-3-(dimethylamino)prop-2-en-1-one (CAS 339099-22-8)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(3,5-dimethylphenyl)-1H-pyrrole-2-carboxamide (CAS 338956-41-5)
- 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-4-[(E)-2-phenylethenyl]pyrimidine (CAS 338407-71-9)
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- N-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)carbamoyl)-4-methylbenzenesulfonamide (CAS 144848-79-3)
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Recommended Standards
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com