trans-4-(4-Propylcyclohexyl)benzonitrile

Base Information

Chemical Name:trans-4-(4-Propylcyclohexyl)benzonitrile
CAS No.:61203-99-4
Deprecated CAS:62788-03-8
Molecular Formula:C16H21N
Molecular Weight:227.349
Hs Code.:2926909090
European Community (EC) Number:262-654-5
DSSTox Substance ID:DTXSID70980446,DTXSID80886420
Nikkaji Number:J1.348J,J268.411J
Mol file:61203-99-4.mol

Synonyms:61203-99-4;4-(trans-4-Propylcyclohexyl)benzonitrile;trans-4-(4-Propylcyclohexyl)benzonitrile;4-(4-Propylcyclohexyl)benzonitrile;313552-83-9;4-(TRANS-4'-N-PROPYLCYCLOHEXYL)BENZONITRILE;Benzonitrile, 4-(trans-4-propylcyclohexyl)-;trans-4-(4-Propyl-cyclohexyl)-benzonitrile;1-Cyano-4-(trans-4-propylcyclohexyl)benzene;EINECS 262-654-5;4-(4'-Propylcyclohexyl)benzonitrile;1-cyano-4-(4-propylcyclohexyl)benzene;trans-4-Propyl(4-cyanophenyl)cyclohexane;SCHEMBL261024;SCHEMBL1658450;SCHEMBL16133534;DTXSID70980446;DTXSID80886420;XXUSEPRYHRDKFV-UHFFFAOYSA-N;4-trans-propylcyclohexylcyanobenzene;AMY25191;MFCD04038799;4-(4-propyl-cyclohexyl)-benzonitrile;4-(4-Propylcyclohexyl)benzonitrile #;AKOS015839626;AKOS015917929;Benzonitrile, 4-(4-propylcyclohexyl)-;CS-W010413;SB66467;SB66718;DS-15534;trans-4-propyl-(4-cyanophenyl)-cyclohexane;4-((1s,4r)-4-propylcyclohexyl)benzonitrile;EU-0000047;FT-0640736;FT-0749878;P1617;A24026;SR-01000388832;SR-01000388832-1;W-105180;4-(trans-4-propylcyclohexyl)benzonitrile

Suppliers and Price of trans-4-(4-Propylcyclohexyl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-Cyano-4-(trans-4-propylcyclohexyl)benzene
500mg
$ 75.00

TCI Chemical
4-(trans-4-Propylcyclohexyl)benzonitrile >98.0%(GC)
5g
$ 110.00

Crysdot
4-(trans-4-propylcyclohexyl)benzonitrile 98%
100g
$ 333.00

Chemenu
4-(trans-4-propylcyclohexyl)benzonitrile 95+%
25g
$ 122.00

Chemenu
4-(trans-4-propylcyclohexyl)benzonitrile 95+%
100g
$ 315.00

Arctom
4-(trans-4-propylcyclohexyl)benzonitrile 98%
100g
$ 287.00

Arctom
4-(trans-4-propylcyclohexyl)benzonitrile 98%
25g
$ 82.00

Arctom
4-(trans-4-propylcyclohexyl)benzonitrile 98%
1g
$ 8.00

Arctom
4-(trans-4-propylcyclohexyl)benzonitrile 98%
250mg
$ 6.00

Arctom
4-(trans-4-propylcyclohexyl)benzonitrile 98%
5g
$ 25.00

Total 61 raw suppliers

Chemical Property of trans-4-(4-Propylcyclohexyl)benzonitrile

Chemical Property:

Melting Point:45 °C
Boiling Point:351.8 °C at 760 mmHg
Flash Point:167.4 °C
PSA：23.79000
Density:0.98 g/cm³
LogP:4.63218
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:soluble in Methanol
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:227.167399674
Heavy Atom Count:17
Complexity:259

Purity/Quality:

98%, ^*data from raw suppliers

1-Cyano-4-(trans-4-propylcyclohexyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1CCC(CC1)C2=CC=C(C=C2)C#N
Uses Intermediates of Liquid Crystals

Technology Process of trans-4-(4-Propylcyclohexyl)benzonitrile

There total 18 articles about trans-4-(4-Propylcyclohexyl)benzonitrile 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: 88.0%

: 4-[((Z)-4-Propenyl)-cyclohexyl]-benzonitrile

: 61203-99-4,62788-03-8
trans-4-propyl-(4'-cyanophenyl)cyclohexane

Guidance literature:: With iron(III)-acetylacetonate; ethanol; phenylsilane; thiophenol; In propan-1-ol; at 23 ℃; for 132h; Inert atmosphere;
DOI:10.1021/jacs.0c09544

Reference yield: 56.0%

: 73163-49-2
4-(trans-4-propylcyclohexyl)benzamide

: 61203-99-4,62788-03-8
trans-4-propyl-(4'-cyanophenyl)cyclohexane

Guidance literature:: With thionyl chloride; N,N-dimethyl-formamide; for 1.5h; Ambient temperature;

Reference yield:

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

: 61203-99-4,62788-03-8
trans-4-propyl-(4'-cyanophenyl)cyclohexane

Guidance literature:: Multi-step reaction with 7 steps

1: AlCl₃ / 45 °C

2: hydrazine hydrate / bis-(2-hydroxy-ethyl) ether / or in 1:1 mixture of triethanolamine and glycerol

3: AlCl₃ / 1,2-dichloro-ethane / 0.5 h

4: aq. NaOH, Br₂ / dioxane / 3 h / 35 - 40 °C

5: SOCl₂ / 1 h / Heating

6: 25percent aq. NH₄OH

7: 56 percent / SOCl₂, dimethylformamide / 1.5 h / Ambient temperature

With ammonium hydroxide; sodium hydroxide; aluminium trichloride; thionyl chloride; bromine; hydrazine hydrate; N,N-dimethyl-formamide; In 1,4-dioxane; 1,2-dichloro-ethane; diethylene glycol;