3-Iodo-5-methylbenzonitrile CAS 52107-71-8
| CAS No. | 52107-71-8 |
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Iodo-5-methylbenzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Iodo-5-methylbenzonitrile (CAS 52107-71-8), molecular formula C8H6IN and molecular weight 243.04 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, iodine substitution, 3-Iodo-5-methylbenzonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 243.04 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.
CATO manufactures 3-Iodo-5-methylbenzonitrile 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.
Physical & Chemical Properties
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.04 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Iodo Standards
- 2-Iodo-3-methylbenzonitrile (CAS 52107-70-7)
- 2-Iodo-4-methylbenzonitrile (CAS 42872-78-6)
- 2-Iodo-5-methylbenzonitrile (CAS 42872-86-6)
- 2-Iodo-6-methylbenzonitrile (CAS 52107-69-4)
- 3-Iodo-2-methylbenzonitrile (CAS 52107-66-1)
- 4-Iodo-1H-indole (CAS 81038-38-2)
- 4-Iodo-2-methylbenzonitrile (CAS 52107-67-2)
- 4-Iodo-3-methylbenzonitrile (CAS 42872-85-5)
Recommended Standards
- 3-Iodoindole (CAS 26340-47-6)
- 3-(Iodomethyl)benzonitrile (CAS 69113-58-2)
- 4-(Iodomethyl)benzonitrile (CAS 874-88-4)
- 2-Iodophenylacetonitrile (CAS 40400-15-5)
- 2-(5-Methylthiophen-2-yl)acetonitrile (CAS 113867-94-0)
- tert-Butyl 1-amino-7-azaspiro[3.5]nonane-7-carboxylate (CAS 1100748-84-2)
- 1,4-Dibromo-1,1,2-trifluorobutane (CAS 155957-57-6)
- 2-(Difluoromethoxy)-3-methylaniline (CAS 1261609-75-9)
- 5-Bromo-7-fluoro-8-methylquinoline (CAS 2101945-67-7)
- tert-Butyl 17-bromoheptadecanoate (CAS 2428400-70-6)
- Ketorolac Impurity 38 (CAS 1468-28-6)
- Ethyl (R)-4-oxooxetane-2-carboxylate (CAS 107285-65-4)
- 2-[(2-Hydroxy-ethyl)-(4-nitroso-phenyl)-amino]-ethanol hcl (CAS 53743-87-6)
- Tirzepatide Impurity 12 (CAS CATO-C4X-324012)
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