Methyl 3-chloro-5-iodobenzoate CAS 289039-85-6
| CAS No. | 289039-85-6 |
| Molecular Formula | C8H6ClIO2 |
| Molecular Weight | 296.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-chloro-5-iodobenzoate (CAS 289039-85-6) is a high-purity analytical reference standard with the molecular formula C8H6ClIO2 and a molecular weight of 296.49 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/iodine substitution, an aromatic ring system, Methyl 3-chloro-5-iodobenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 296.49 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H6ClIO2 |
| Molecular Weight | 296.49 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 2025 |
| Halogen Content | Cl/I-containing |
Related Methyl Standards
- 2-Chloro-5-iodobenzohydrazide (CAS 1021990-78-2)
- 4-Chloro-3-iodobenzohydrazide (CAS 1023186-30-2)
- 4-Chloro-2-iodo-6-methylbenzoic acid (CAS 1048025-62-2)
- Methyl 3-chloro-2-iodobenzoate (CAS 1071554-61-4)
- 3-Chloro-5-iodo-4-methylbenzoic acid (CAS 1092307-52-2)
- Methyl 2-chloro-6-iodobenzoate (CAS 1261559-47-0)
- N-(3-Chloro-5-iodopyridin-4-yl)acetamide (CAS 1300750-84-8)
- 5-Chloro-2-iodo-3-methylbenzoic acid (CAS 1383706-84-0)
Recommended Standards
- Methyl 3-chloro-4-iodobenzoate (CAS 874569-39-8)
- Methyl 4-chloro-3-iodobenzoate (CAS 365526-34-7)
- Methyl 2-chloro-3-iodobenzoate (CAS 620621-51-4)
- Methyl octadec-13-enoate (CAS 56554-47-3)
- 1-TERT-BUTYL 2-ETHYL 1H-INDOLE-1,2-DICARBOXYLATE (CAS 426826-79-1)
- 4-Nitrobenzene-1,2-diamine sulfate (CAS 68239-82-7)
- 5-[4-(Dimethylamino)phenyl]-1h-pyrazole-3-carboxylic acid (CAS 1257858-74-4)
- Cyanidin 3-O-arabinoside (CAS 792868-19-0)
- Tert-butyl 4-(4-(5-(furan-2-yl)-1,2,4-oxadiazol-3-yl)phenyl)piperazine-1-carboxylate (CAS 866050-10-4)
- 2-((Tert-butoxycarbonyl)(methyl)amino)-2-(4-methoxyphenyl)acetic acid (CAS 1404879-70-4)
- 6-(Aminomethyl)picolinaldehyde (CAS 1121790-61-1)
- Tert-butyln-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate (CAS 1886967-53-8)
- tert-Butyl N-({2-azaspiro[3.3]heptan-6-yl}methyl)carbamate hydrochloride (CAS 2173991-80-3)
- Semaglutide impurity 62 (CAS CATO-C4X-222662)
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