1-(3-Bromophenyl)-3-oxocyclohexanecarbonitrile CAS 1956341-56-2
| CAS No. | 1956341-56-2 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3-Bromophenyl)-3-oxocyclohexanecarbonitrile (CAS 1956341-56-2) is a high-purity analytical reference standard with the molecular formula C13H12BrNO and a molecular weight of 278.14 g/mol.
Based on its molecular formula C13H12BrNO, 1-(3-Bromophenyl)-3-oxocyclohexanecarbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 278.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C13H12BrNO |
| Molecular Weight | 278.14 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromophenyl Standards
- 1-(3-Bromophenyl)-4-oxocyclohexane-1-carbonitrile (CAS 1202006-92-5)
- 1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile (CAS 1202006-93-6)
- 2-(((2-Bromophenyl)amino)methyl)phenol (CAS 195372-29-3)
- 1-(4-Bromophenyl)-3-oxocyclohexanecarbonitrile (CAS 1956385-26-4)
- 1-(2-Bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 662154-13-4)
- 1-(3-Bromophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde (CAS 812642-64-1)
- 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, 97% (CAS 347331-78-6)
- 1-(4-Bromophenyl)-4-oxocyclohexane-1-carbonitrile (CAS 65619-28-5)
Recommended Standards
- tert-Butyl 4-bromo-2-methyl-3-oxopyrrolidine-1-carboxylate (CAS 1956379-13-7)
- O-(4-Bromo-2-fluorophenyl) dimethylcarbamothioate (CAS 190648-99-8)
- N-Boc-3-bromo-4-oxopiperidine (CAS 188869-05-8)
- (2-Amino-5-bromophenyl)(phenyl)methanol (CAS 7141-05-1)
- 3-((1-Methyl-1H-imidazol-2-yl)oxy)benzoic acid (CAS 1283282-28-9)
- (2S)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CAS 1026763-78-9)
- tert-Butyl 7-(bromomethyl)-1H-indole-1-carboxylate (CAS 442910-45-4)
- 4-Chloro-n',2-dihydroxybenzimidamide (CAS 101252-75-9)
- Methyl 3-bromo-2,4-dioxo-4-phenylbutanoate (CAS 59609-59-5)
- 3-(Benzyloxy)picolinonitrile (CAS 24059-90-3)
- 2-(8-Chloro-1-naphthylthio)acetic acid (CAS 129-94-2)
- N-((4-Ethyl-5-((2-(hydroxyamino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide (CAS 878065-13-5)
- 1-((2-Nitrophenyl)sulfonyl)pyrrolidin-3-amine (CAS 902797-82-4)
- D-Leu26-Tirzepatide (CAS CATO-CPTD788908)
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