Cyclohexane-1,4-dicarbonitrile

Base Information

• Chemical Name: Cyclohexane-1,4-dicarbonitrile
• CAS No.: 10534-13-1
• Molecular Formula: C8H10 N2
• Molecular Weight: 134.181
• Hs Code.: 2926909090
• European Community (EC) Number: 234-097-8
• NSC Number: 517929
• DSSTox Substance ID: DTXSID00147085
• Nikkaji Number: J435.295E,J435.296C,J23.553I
• Mol file: 10534-13-1.mol

Synonyms:Cyclohexane-1,4-dicarbonitrile;10534-13-1;1,4-Cyclohexanedicarbonitrile;6550-85-2;trans-1,4-Cyclohexanedicarbonitrile;1,4-Cyclohexanedicarbonitrile, trans-;EINECS 234-097-8;CYCLOHEXANE-1 4-DICARBONITRILE 98per cent MIXT;1,4-DICYANOCYCLOHEXANE;NSC517929;1,4-dicyano cyclohexane;SCHEMBL45941;trans-1,4-Dicyanocyclohexane;SCHEMBL1164553;SCHEMBL1343696;trans-cyclohexane-l,4-dinitrile;DTXSID00147085;Cis-1,4-cyclohexane-dicarbonitrile;Trans-1,4-cyclohexane-carbonitrile;MFCD00021283;1alpha,4beta-Cyclohexanedicarbonitrile;1,4-Cyclohexanedicarbonitrile, (E)-;AKOS015916027;1alpha,4alpha-Cyclohexanedicarbonitrile;NSC 517929;NSC-517929;BS-23508;FT-0733393;J-001391

Chemical Property of Cyclohexane-1,4-dicarbonitrile

Chemical Property:

• Vapor Pressure: 0.000561mmHg at 25°C
• Melting Point: 57-61 °C(lit.)
• Boiling Point: 311.5°C at 760 mmHg
• Flash Point: 153.4°C
• PSA: 47.58000
• Density: 1.02g/cm³
• LogP: 1.83996
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexane-1,4-dicarbonitrile 98% Mixture of cis and trans ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CCC1C#N)C#N

Technology Process of Cyclohexane-1,4-dicarbonitrile

There total 7 articles about Cyclohexane-1,4-dicarbonitrile 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: 85.0%

transcyclohexane-1,4-dicarboxylic acid amide (20101-86-4,35541-94-7) → cyclohexane-1,4-dicarbonitrile (10534-13-1)

Guidance literature:

With phosphorus pentoxide; at 300 ℃; for 1h; Temperature;

Reference yield: 80.5%

bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → cyclohexane-1,4-dicarbonitrile (10534-13-1)

Guidance literature:

With 1,10-Phenanthroline; ammonia; oxygen; In 1,4-dioxane; at 30 - 60 ℃; for 12h; under 3750.38 Torr; Pressure; Temperature; Reagent/catalyst; Solvent;

Reference yield:

cyclohexane-1,4-dicarboxylic acid (619-81-8,619-82-9,1076-97-7) → cyclohexane-1,4-dicarbonitrile (10534-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia; ammonium bicarbonate / water / 190 - 230 °C

2: 245 - 300 °C / 760.05 Torr

With ammonia; ammonium bicarbonate; In water;

upstream raw materials:

1-cyclohexyl-3-ethyl-6-fluoro-1H-indazole

potassium hexamethylsilazane

cyclohexane-1,4-dicarboxylic acid

1,4-bis-(aminomethyl)cyclohexane

Downstream raw materials:

1,4-bis-(aminomethyl)cyclohexane

trans-1,4-cyclohexanedicarbonitrile

cis-cyclohexane-1,4-diyldimethanamine

trans-1,4-cyclohexane-bis(methylamine)

Refernces

• 1、 -. "METHOD FOR PRODUCING DICYANOCYCLOHEXANE AND BIS(AMINOMETHYL)CYCLOHEXANE". Paragraph 0098-0104. . Retrieved 2020/12/25.
• 2、 -. "Method for catalyzing ammoxidation cracking of 1,4-cyclohexanedimethanol to prepare 1,4-cyclohexanedicarbonitrile". Paragraph 0021-0034. . Retrieved 2019/07/16.