Description

trans-4-(4-Propylcyclohexyl)benzonitrile (CAS No. 61203-99-4) is a high-purity organic compound with the molecular formula C₁₆H₂₁N. This specialized chemical features a benzonitrile group attached to a trans-4-propylcyclohexyl moiety, making it a valuable intermediate in advanced organic synthesis and materials science. With a molecular weight of 227.34 g/mol, it is widely utilized in the development of liquid crystals, pharmaceuticals, and functional materials due to its stable cyclohexyl backbone and polar nitrile functionality. Our product is rigorously tested for purity and consistency, ensuring optimal performance for research and industrial applications. Available in various quantities, it is supplied with comprehensive analytical data (including HPLC, GC-MS, and NMR) to meet the stringent requirements of researchers and scientists.

Properties

• CAS Number: 61203-99-4
• Complexity: 258
• IUPAC Name: 4-(4-propylcyclohexyl)benzonitrile
• InChI: InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
• InChI Key: XXUSEPRYHRDKFV-UHFFFAOYSA-N
• Exact Mass: 227.167399674
• Molecular Formula: C16H21N
• Molecular Weight: 227.34
• SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 227.167399674
• Synonyms: 61203-99-4, 4-(trans-4-Propylcyclohexyl)benzonitrile, 4-(4-Propylcyclohexyl)benzonitrile, trans-4-(4-Propylcyclohexyl)benzonitrile, 313552-83-9, 4-(TRANS-4′-N-PROPYLCYCLOHEXYL)BENZONITRILE, 1-Cyano-4-(trans-4-propylcyclohexyl)benzene, Benzonitrile, 4-(trans-4-propylcyclohexyl)-, 1-cyano-4-(4-propylcyclohexyl)benzene, 62788-03-8, trans-4-(4-Propyl-cyclohexyl)-benzonitrile, 4-(4-propylcyclohexyl)benzenecarbonitrile, EINECS 262-654-5, 4-(4′-Propylcyclohexyl)benzonitrile, MFCD04038799, 3cHCP, trans-4-Propyl(4-cyanophenyl)cyclohexane, SCHEMBL261024, SCHEMBL1658450, DTXSID70980446, DTXSID80886420, XXUSEPRYHRDKFV-CTYIDZIISA-N, MFCD08275630, SBB059443, 4-(4-propyl-cyclohexyl)-benzonitrile, 4-(4-Propylcyclohexyl)benzonitrile #, AKOS015839626, AKOS015917929, Benzonitrile, 4-(4-propylcyclohexyl)-, CS-W010413, SB66467, SB66718, DS-15534, LS-14511, SY102536, DB-009031, DB-030458, DB-363505, trans-4-propyl-(4-cyanophenyl)-cyclohexane, 4-((1s,4r)-4-propylcyclohexyl)benzonitrile, EU-0000047, NS00053366, P1617, ST51044437, Rel-4-((1s,4r)-4-propylcyclohexyl)benzonitrile, SR-01000388832, SR-01000388832-1

Application

trans-4-(4-Propylcyclohexyl)benzonitrile is primarily employed as a key intermediate in the synthesis of liquid crystalline materials, particularly for display technologies such as LCDs. Its rigid-rod molecular structure and polar nitrile group contribute to the desired mesomorphic properties in advanced optical devices. Additionally, it serves as a building block in pharmaceutical research for the development of bioactive compounds targeting neurological and metabolic pathways. Researchers also explore its utility in organic electronics and polymer science due to its thermal stability and electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 3 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 3 (50%)
• Aquatic Chronic 4 (50%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.