3,3-Dichloroacrylic acid

Base Information

• Chemical Name: 3,3-Dichloroacrylic acid
• CAS No.: 1561-20-2
• Molecular Formula: C3H2 Cl2 O2
• Molecular Weight: 140.954
• Hs Code.: 2916190090
• European Community (EC) Number: 830-778-4
• DSSTox Substance ID: DTXSID101023620
• Nikkaji Number: J80.231J
• Metabolomics Workbench ID: 1759
• Mol file: 1561-20-2.mol

Synonyms:3,3-dichloroacrylic acid;1561-20-2;3,3-dichloropropenoic acid;3,3-dichloroprop-2-enoic acid;3,3-DICHLORO-2-PROPENOIC ACID;2-Propenoic acid, 3,3-dichloro-;3,3-dichloroacrylicacid;C3H2Cl2O2;SCHEMBL988365;CHEBI:186566;HYODZVPUCNBWNY-UHFFFAOYSA-N;DTXSID101023620;AMY14156;BCP34639;LMFA01090073;MFCD11502460;AKOS006376239;AS-44280;CS-0215142;EN300-227033;Z1205493743;InChI=1/C3H2Cl2O2/c4-2(5)1-3(6)7/h1H,(H,6,7

Chemical Property of 3,3-Dichloroacrylic acid

Chemical Property:

• Melting Point: 77.5°C
• Boiling Point: 191.3°Cat760mmHg
• PKA: 2.76±0.33(Predicted)
• Flash Point: 69.5°C
• PSA: 37.30000
• Density: 1.586g/cm³
• LogP: 1.39000
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.9431847
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

99%, ^*data from raw suppliers

3,3-dichloroprop-2-enoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=C(Cl)Cl)C(=O)O