3-Iodo-4-pivalamidobenzoic acid CAS 139078-63-0
| CAS No. | 139078-63-0 |
| Molecular Formula | C13H16INO3 |
| Molecular Weight | 361.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Iodo-4-pivalamidobenzoic acid.
3-Iodo-4-pivalamidobenzoic acid (CAS 139078-63-0), molecular formula C13H16INO3 and molecular weight 361.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Iodo-4-pivalamidobenzoic acid (C13H16INO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 361.18 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 3-Iodo-4-pivalamidobenzoic 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 | C13H16INO3 |
| Molecular Weight | 361.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Iodo Standards
- Ethyl 5-iodo-2-morpholinobenzoate (CAS 1131587-28-4)
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- Ethyl 3-iodo-4-morpholinobenzoate (CAS 1131614-88-4)
- 1-Benzyl-5-iodo-4-phenyl-1H-1,2,3-triazole (CAS 860002-66-0)
- 2-Iodo-9-isopropyl-N-(2-methoxyethyl)-9H-purin-6-amine (CAS 897040-21-0)
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Recommended Standards
- 6-(4-Iodophenoxymethyl)quinoline (CAS 1306628-09-0)
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- 8-(4-Iodophenoxymethyl)quinoline (CAS 1300068-28-3)
- (3Z)-3-[(2-Iodophenyl)methylidene]-1-methyl-2,3-dihydro-1H-indol-2-one (CAS 1616502-83-0)
- 1-(Morpholinomethyl)cyclopentan-1-amine (CAS 890095-97-3)
- H-Leu-Leu-Ala-OH (CAS 20274-80-0)
- Ethyl 2-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate (CAS 41215-90-1)
- 5-Bromo-2-(4-methoxypiperidin-1-yl)pyrimidine (CAS 1406958-85-7)
- 1-(4-(Tert-butyl)-1-propoxycyclohexyl)-N-methylmethanamine (CAS 1274821-85-0)
- 2-(2,2,2-Trifluoroethyl)-2H-indazol-3-amine (CAS 2488907-65-7)
- Antrafenine - API Standards (CAS 55300-29-3)
- (R)-1-(2-(dimethylamino)ethyl)piperidin-3-amine (CAS 1704978-27-7)
- 4-Methyl-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide (CAS 1203192-01-1)
- Peptide Impurity 82 (CAS 10491-78-8)
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