4-Chlorohexa-2,4-dienoic acid

Base Information

• Chemical Name: 4-Chlorohexa-2,4-dienoic acid
• CAS No.: 97552-61-9
• Molecular Formula: C6H7 Cl O2
• Molecular Weight: 146.573
• Hs Code.: 2916190090
• European Community (EC) Number: 307-114-2
• Nikkaji Number: J333.732D
• Mol file: 97552-61-9.mol

Synonyms:4-Chlorohexa-2,4-dienoic acid;97552-61-9;EINECS 307-114-2;4-Chloro-2,4-hexadienoic acid;2,4-Hexadienoic acid, 4-chloro-

Chemical Property of 4-Chlorohexa-2,4-dienoic acid

Chemical Property:

• Vapor Pressure: 0.00748mmHg at 25°C
• Boiling Point: 249°C at 760 mmHg
• Flash Point: 104.4°C
• PSA: 37.30000
• Density: 1.215g/cm³
• LogP: 1.76980
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.0134572
• Heavy Atom Count: 9
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C=CC(=O)O)Cl
• Isomeric SMILES: C/C=C(/C=C/C(=O)O)\Cl

Technology Process of 4-Chlorohexa-2,4-dienoic acid

There total 2 articles about 4-Chlorohexa-2,4-dienoic acid 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:

→ sorbic Acid (110-44-1,91751-55-2) + 4-chloro-2,4-hexadienoic acid (97552-61-9)

Guidance literature:

With potassium acetate;

Reference yield:

4,4,5-trichloro-hex-2-enoic acid (90724-33-7) → 4-chloro-2,4-hexadienoic acid (97552-61-9)

Guidance literature:

With ethanol; water; zinc;

Reference yield:

4-chloro-2,4-hexadienoic acid (97552-61-9) → hydrogenchloride (7647-01-0,15364-23-5) + oxalic acid (144-62-7,97993-78-7) + acetaldehyde (75-07-0,9002-91-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

bei der Ozonspaltung;

upstream raw materials:

4,4,5-trichloro-hex-2-enoic acid

Downstream raw materials:

hydrogenchloride

oxalic acid

acetaldehyde

acetic acid