2,4-Hexadienedinitrile

Base Information

• Chemical Name: 2,4-Hexadienedinitrile
• CAS No.: 5867-88-9
• Molecular Formula: C6H4N2
• Molecular Weight: 104.111
• NSC Number: 126276
• UNII: E9T6FXQ7MH
• Nikkaji Number: J150.950K,J150.951I,J150.952G,J417.376G
• Mol file: 5867-88-9.mol

Synonyms:Mucondinitrile;trans,trans-Mucononitrile;E9T6FXQ7MH;(2E,4E)-2,4-Hexadienedinitrile;2,4-Hexadienedinitrile, (E,E)-;UNII-E9T6FXQ7MH;2,4-Hexadienedinitrile, (2E,4E)-;trans,trans-1,4-Dicyano-1,3-butadiene;2,4-Hexadienedinitrile;NSC 126276;NSC-126276;5867-88-9;mucononitrile;NSC126276;cis,trans-Mucononitrile;trans, trans-Muconodinitril;AKOS015915755;InChI=1/C6H4N2/c7-5-3-1-2-4-6-8/h1-4H/b3-1+,4-2

Chemical Property of 2,4-Hexadienedinitrile

Chemical Property:

• Melting Point: 328-329 °C
• Boiling Point: 244.7±23.0 °C(Predicted)
• PSA: 47.58000
• Density: 1.024±0.06 g/cm3(Predicted)
• LogP: 1.14596
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 104.037448136
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC#N)C=CC#N
• Isomeric SMILES: C(=C/C#N)\C=C\C#N

Technology Process of 2,4-Hexadienedinitrile

There total 2 articles about 2,4-Hexadienedinitrile 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:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → maleonitrile (928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4) + trans,trans-mucononitrile (5867-88-9) + cis,trans-mucononitrile (29750-70-7) + 1,2-Dicyanoethylene (764-42-1)

Guidance literature:

With ammonia; TiO₂ (Ti-Mo-oxides); molybdenum(VI) oxide; at 490 ℃; under 735.5 Torr; Further byproducts given;

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → maleonitrile (928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4) + cis,cis-mucononitrile (1557-59-1) + trans,trans-mucononitrile (5867-88-9) + cis,trans-mucononitrile (29750-70-7) + aniline (62-53-3) + 1,2-Dicyanoethylene (764-42-1)

Guidance literature:

With ammonia; TiO₂ (Ti-Mo-oxides); molybdenum(VI) oxide; at 490 ℃; under 735.5 Torr; Mechanism; Thermodynamic data; Product distribution; various catalysts and temperatures;

Reference yield:

trans,trans-mucononitrile (5867-88-9) → 1,6-Hexanediamine (124-09-4) + hexanedinitrile (111-69-3) + 1-amino-5-cyanopentane (2432-74-8)

Guidance literature:

With ammonia; hydrogen; Raney nickel; In tetrahydrofuran; water; at 110 ℃; for 3h; under 18100.7 Torr; Product distribution / selectivity; Parr reactor;

upstream raw materials:

benzene

Downstream raw materials:

1,6-Hexanediamine

hexanedinitrile

1-amino-5-cyanopentane

Refernces