4-Chloro-2-(pentan-3-ylamino)benzonitrile CAS 939816-48-5
| CAS No. | 939816-48-5 |
| Molecular Formula | C12H15ClN2 |
| Molecular Weight | 222.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution, 4-Chloro-2-(pentan-3-ylamino)benzonitrile is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 222.71 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO supplies 4-Chloro-2-(pentan-3-ylamino)benzonitrile (CAS 939816-48-5), a certified reference material (molecular formula C12H15ClN2, MW 222.71 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), 4-Chloro-2-(pentan-3-ylamino)benzonitrile 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 | C12H15ClN2 |
| Molecular Weight | 222.71 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 3-(5-Chloro-2-methyl-1H-indol-3-yl)propan-1-amine (CAS 1000559-84-1)
- 2-Butyl-4-chloro-2,3-dihydro-1H-inden-1-one (CAS 1003708-90-4)
- 10-Chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (CAS 1082914-74-6)
- 8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline (CAS 1082914-80-4)
- 2-Chloro-4-(pentylamino)benzonitrile (CAS 1094493-65-8)
- 2-Chloro-4-(pentan-3-ylamino)benzonitrile (CAS 1097794-79-0)
- 4-Chloro-2-(pentylamino)benzonitrile (CAS 1156962-93-4)
- 2-(6-Chloro-1H-indol-3-yl)-2-methylpropan-1-amine (CAS 1368966-99-7)
Recommended Standards
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- 3-Chloro-4-cyclohexylbenzaldehyde (CAS 40891-68-7)
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- 4-Fluoropyridine N-oxide (CAS 124666-05-3)
- 2-Chloro-5,6-dimethyl-1,3-benzothiazole (CAS 104076-80-4)
- Sabinene (CAS 3387-41-5)
- 2-{1-[(1H-1,2,4-triazol-3-yl)amino]ethylidene}-2,3-dihydro-1H-indene-1,3-dione (CAS 59876-69-6)
- 2,5-Dichloro-N-(1,5,6-trimethyl-1H-benzo[d]imidazol-4-yl)benzenesulfonamide (CAS 338410-94-9)
- 2-(4-Aminomethyl-cyclohexyl)-quinoline-4-carboxylic acidmethylamide hydrochloride (CAS 1229625-37-9)
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