2-Iodo-3-methylbenzonitrile CAS 52107-70-7
| CAS No. | 52107-70-7 |
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 2-Iodo-3-methylbenzonitrile (CAS 52107-70-7), a certified reference material (molecular formula C8H6IN, MW 243.04 g/mol) for analytical method development and quality control.
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), 2-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.) | 1971 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Iodo Standards
- 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)
- 4-Iodo-3-methylbenzonitrile (CAS 42872-85-5)
Recommended Standards
- 2,5-Dichloro-1,3-Dinitrobenzene (CAS 2213-82-3)
- 2,3-Dichloro-5-hydroxynaphthalene-1,4-dione (CAS 4923-60-8)
- 2-(iodomethyl)benzonitrile (CAS 871892-23-8)
- 1-(4-Bromo-2-fluorophenyl)-1h-1,2,3,4-tetrazole (CAS 530080-21-8)
- 4-Chloro-2-methoxybenzaldehyde (CAS 53581-86-5)
- 1-Cyano-2-methylcyclobutane-1-carboxylic acid (CAS 1514802-96-0)
- 2,5-Dimethyl-3-pyridinamine (CAS 89943-02-2)
- 3-(2-Methoxyphenyl)propanehydrazide (CAS 856603-57-1)
- 2-(4-Chloro-6-(difluoromethyl)-3-fluoropyridin-2-yl)acetonitrile (CAS 1807036-38-9)
- Relebactam Impurity 23 (CAS CATO-C4X-214423)
- 1-(3-Hydroxy-2-methylquinolin-4-yl)ethanone (CAS 1345515-22-1)
- Macitentan Impurity 26 (CAS CATO-C4X-117526)
- 5-Methyl-2-nitrobenzene-1,3-diol (CAS 16533-36-1)
- Casein Kinase II Receptor Peptide (CAS 198481-81-1)
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