1H-Indole-5-carbonitrile, 4-chloro-1,3-dimethyl- CAS 2112656-22-9
| CAS No. | 2112656-22-9 |
| Molecular Formula | C11H9ClN2 |
| Molecular Weight | 204.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1H-Indole-5-carbonitrile, 4-chloro-1,3-dimethyl- (C11H9ClN2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 204.66 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 1H-Indole-5-carbonitrile, 4-chloro-1,3-dimethyl- (CAS 2112656-22-9), a certified reference material (molecular formula C11H9ClN2, MW 204.66 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.
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 | C11H9ClN2 |
| Molecular Weight | 204.66 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related H Standards
- 1H-Indole-3-carbonitrile, 7-chloro-1-ethyl- (CAS 1514208-17-3)
- 1H-Indole-3-carbonitrile, 5-chloro-1,7-dimethyl- (CAS 2112639-45-7)
- 1H-indole-2-sulfonamide (CAS 85953-41-9)
- 1H-indole-5-sulfonamide (CAS 3074-27-9)
- 1H-Indole-2,4-dicarboxylic acid (CAS 103027-96-9)
- 1H-Indole-2,6-dicarboxylic acid (CAS 103027-97-0)
- 1H-Indole-2,3-dicarboxylic acid (CAS 103030-09-7)
- 1H-Indole-2,5-dicarboxylic acid (CAS 117140-77-9)
Recommended Standards
- 2-(3-(Chloromethyl)phenyl)pyrimidine (CAS 898289-51-5)
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- 2-(3-Chlorophenyl)pyridin-3-amine (CAS 886507-61-5)
- 2-Chloro-5-(o-tolyl)pyrazine (CAS 1935628-13-9)
- 3-(3-Chloro-1h-1,2,4-triazol-1-yl)adamantane-1-carbohydrazide (CAS 438220-66-7)
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- 4-(Bromomethyl)-2-fluoro-6-iodopyridine (CAS 1807123-85-8)
- 4-Fluoro-N-(3-(hydrazinecarbonyl)phenyl)benzamide (CAS 325798-55-8)
- 4-Chloro-1-(p-tolyl)butan-1-one (CAS 38425-26-2)
- Fmoc-Tyr(tBu)-OEt (CAS CATO-CPTD788829)
- Tiapride hydrochloride (CAS 51012-33-0)
- Methyl (2S)-3-[4-(tert-butoxy)phenyl]-2-acetamidopropanoate (CAS 1820580-42-4)
- 1-(2,5-Dichlorophenyl)-2-(isopropylthio)ethan-1-one (CAS 1178152-56-1)
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