2,4-Dichloromuconic acid

Base Information

• Chemical Name: 2,4-Dichloromuconic acid
• CAS No.: 72945-11-0
• Molecular Formula: C6H4 Cl2 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID401255921
• Nikkaji Number: J1.847.115I
• Wikidata: Q27117834
• Metabolomics Workbench ID: 75584
• Mol file: 72945-11-0.mol

Synonyms:2,4-dichloromuconic acid;72945-11-0;2,4-dichloro-trans,trans-muconic acid;2,4-dichlorohexa-2,4-dienedioic acid;(2Z,4Z)-2,4-dichlorohexa-2,4-dienedioic acid;2,4-dichloro-2,4-hexadienedioic acid;(2Z,4Z)-2,4-dichloro-2,4-hexadienedioic acid;2,4-Hexadienedioic acid, 2,4-dichloro-, (2Z,4Z)-;CHEBI:38409;CHEBI:38410;DTXSID401255921;LMFA01030963;Q27117834

Chemical Property of 2,4-Dichloromuconic acid

Chemical Property:

• Vapor Pressure: 0.000187mmHg at 25°C
• Boiling Point: 305.5°C at 760 mmHg
• Flash Point: 138.6°C
• PSA: 74.60000
• Density: 1.668g/cm³
• LogP: 1.40100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.9486640
• Heavy Atom Count: 12
• Complexity: 267

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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