2-(4-chlorophenyl)-3-methylbutanenitrile CAS 2012-81-9
| CAS No. | 2012-81-9 |
| Molecular Formula | C11H12ClN |
| Molecular Weight | 193.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 193.67 g/mol gives 2-(4-chlorophenyl)-3-methylbutanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(4-chlorophenyl)-3-methylbutanenitrile (CAS 2012-81-9), a certified reference material (molecular formula C11H12ClN, MW 193.67 g/mol) for analytical method development and quality control.
Structurally, 2-(4-chlorophenyl)-3-methylbutanenitrile (C11H12ClN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine 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 193.67 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H12ClN |
| Molecular Weight | 193.67 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 |
| 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.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related chlorophenyl Standards
- 3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile (CAS 1252672-59-5)
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- 3-(3-Chlorophenyl)-N,N-dimethylprop-2-yn-1-amine (CAS 13807-38-0)
- 1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]Hexane (CAS 83177-55-3)
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- 4-(2-Chlorophenyl)-1,2,3,6-tetrahydropyridine (CAS 97429-96-4)
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Recommended Standards
- 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine (CAS 30005-58-4)
- (R)-tert-Butyl (1-chloropropan-2-yl)carbamate (CAS 193761-47-6)
- 4-(tert-Butyl)-2-chlorobenzonitrile (CAS 67740-14-1)
- 5'-Chloro-2',3'-dihydrospiro[azetidine-2,1'-indene] (CAS 1934841-09-4)
- (5-Bromopyridin-2-yl)carbamic acid (CAS 1279205-04-7)
- 1-amino-3-bromopropan-2-one HCl (CAS CATO-C4X-29938)
- 3-(5-Amino-2-(1-hydroxyethyl)-1H-benzo[d]imidazol-1-yl)propan-1-ol (CAS 919007-88-8)
- [13C6]-1H-Indole (CAS 853409-50-4)
- 3-Amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CAS 299464-83-8)
- 5-Methyl-2-(quinolin-2-yl)thiazole (CAS 810690-10-9)
- Methyl N-(4-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycinate (CAS 331725-41-8)
- 3-Hydroxy-2-(5-methanesulfonyl-4-methyl-2-oxazol-2-yl-benzoyl)-cyclohex-2-enone (CAS 1231568-19-6)
- 4-(2-Bromo-4-methylphenoxy)piperidine (CAS 946759-64-4)
- Semaglutide impurity 76 (CAS CATO-C4X-222676)
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