[1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-

Base Information

• Chemical Name: [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-
• CAS No.: 65355-37-5
• Deprecated CAS: 66768-32-9
• Molecular Formula: C20H35 N
• Molecular Weight: 289.505
• European Community (EC) Number: 265-714-9
• DSSTox Substance ID: DTXSID1070307
• Nikkaji Number: J592.289E,J301.877F
• Mol file: 65355-37-5.mol

Synonyms:65355-37-5;[1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-;(1,1'-Bicyclohexyl)-4-carbonitrile, 4'-heptyl-, (trans,trans)-;EINECS 265-714-9;(trans(trans))-4'-Heptyl(1,1'-bicyclohexyl)-4-carbonitrile;[trans(trans)]-4'-heptyl[1,1'-bicyclohexyl]-4-carbonitrile;trans-4-Heptyl-trans-dicyclohexyl-4'-carbonitrile;SCHEMBL9471776;SCHEMBL9471782;SCHEMBL9578614;DTXSID1070307;SCHEMBL10657719;4-n-heptyl-4'-cyanobicyclohexane;AT17868;(1r,1's,4R,4'R)-4'-heptyl-[1,1'-bi(cyclohexane)]-4-carbonitrile;TRANS,TRANS-4'-HEPTYL-[1,1'-BI(CYCLOHEXANE)]-4-CARBONITRILE

Chemical Property of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-

Chemical Property:

• Boiling Point: 411.5oC at 760 mmHg
• Flash Point: 187.9oC
• PSA: 23.79000
• Density: 0.91g/cm3
• LogP: 6.48328
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 289.276950121
• Heavy Atom Count: 21
• Complexity: 310

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1CCC(CC1)C2CCC(CC2)C#N
• Uses: trans,trans-4-Heptylbicyclohexyl-4-nitrile is a nematic liquid crystal solvent used for polarization.

Technology Process of [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-

There total 1 articles about [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ trans,trans-4'-heptylbicyclohexyl-4-carbonitrile (65355-37-5)

Guidance literature:

Carbonsaeuren 2, 1.) SOCl2, 2.) NH3, 3.) POCl3;

Reference yield:

trans,trans-4'-heptylbicyclohexyl-4-carbonitrile (65355-37-5) → 6-((4-hexyloxyphenyl)azo)-2-(all-trans-4-(4'-heptyl-1,1'-bicyclohexyl))-cycloheptimidazole

Guidance literature:

Multi-step reaction with 3 steps

1: 59 percent / HCl / dioxane

2: 76 percent / NH₃ / ethanol

3: 39 percent / Na / 2 h / Heating

With hydrogenchloride; ammonia; sodium; In 1,4-dioxane; ethanol;

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