4,5-Dimethyl-1H-indole-2-carbonyl chloride CAS 79112-13-3
| CAS No. | 79112-13-3 |
| Molecular Formula | C11H10ClNO |
| Molecular Weight | 207.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4,5-Dimethyl-1H-indole-2-carbonyl chloride (C11H10ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 207.66 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.
4,5-Dimethyl-1H-indole-2-carbonyl chloride (CAS 79112-13-3), molecular formula C11H10ClNO and molecular weight 207.66 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C11H10ClNO |
| Molecular Weight | 207.66 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Dimethyl Standards
- 3,5-Dimethyl-1H-indole-2-carbonyl chloride (CAS 120608-02-8)
- 5,6-Dimethyl-1H-indole-3-carbonyl chloride (CAS 159730-25-3)
- 1,2-Dimethyl-1H-indole-3-carbonyl chloride (CAS 65610-45-9)
- N-((1,5-dimethyl-1H-pyrazol-4-yl)methyl)cyclohexanamine (CAS 1183911-01-4)
- 2-(2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl)piperidine (CAS 1251369-45-5)
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- 3,5-Dimethyl-4'-(N-2-cyclopentylaminoethyl)-1H-pyrazole (CAS 153501-69-0)
- 1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine,2HCl (CAS 5059-36-9)
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