4-Iodo-3-methylbenzonitrile CAS 42872-85-5
| CAS No. | 42872-85-5 |
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.04 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 4-Iodo-3-methylbenzonitrile.
4-Iodo-3-methylbenzonitrile (CAS 42872-85-5), molecular formula C8H6IN and molecular weight 243.04 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Iodo-3-methylbenzonitrile (C8H6IN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, 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 243.04 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-Iodo-3-methylbenzonitrile 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 | 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.) | 1969 |
| 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)
- 3-Iodo-5-methylbenzonitrile (CAS 52107-71-8)
- 4-Iodo-1H-indole (CAS 81038-38-2)
- 4-Iodo-2-methylbenzonitrile (CAS 52107-67-2)
Recommended Standards
- 5-(2-Bromo-5-fluorophenyl)-2h-1,2,3,4-tetrazole (CAS 870562-41-7)
- 5-(3-Bromo-4-fluorophenyl)-2H-tetrazole (CAS 874784-10-8)
- 4,6-Dichloro-2-oxo-2H-chromene-3-carbaldehyde (CAS 51069-87-5)
- 5-(4-Bromo-2-fluorophenyl)-2H-tetrazole (CAS 530081-35-7)
- (R)-2-(((Benzyloxy)carbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propanoic acid (CAS 168176-04-3)
- 2-(2-(Pyrrolidin-1-yl)ethyl)pyridine (CAS 6311-90-6)
- 3-Chloro-N-ethylbenzamide (CAS 26819-09-0)
- 2-Methoxymethylpyridine (CAS 23579-92-2)
- Rotigotine Impurity 40 (CAS 102121-00-6)
- 2-[3-(aminomethyl)phenoxy]-N-methylacetamide hydrochloride (CAS 1803561-67-2)
- N-(4-(Furan-2-yl)thiazol-2-yl)-2-(4-(trifluoromethoxy)phenyl)-2H-tetrazole-5-carboxamide (CAS 1396881-75-6)
- N-(2-methoxyphenyl)piperidine-4-carboxamide hydrochloride (CAS 937688-17-0)
- 2-(5-Amino-4-methyl-2-oxopyridin-1(2h)-yl)acetic acid (CAS 1505420-19-8)
- Neuroendocrine Regulatory Peptide-1 (human) (H-6622.1000) (CAS 954420-50-9)
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