2-Chloro-3,6-difluorocinnamic acid

Base Information

• Chemical Name: 2-Chloro-3,6-difluorocinnamic acid
• CAS No.: 261762-48-5
• Molecular Formula: C9H5 Cl F2 O2
• Molecular Weight: 218.58
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30420752
• Wikidata: Q82232050
• Mol file: 261762-48-5.mol

Synonyms:2-Chloro-3,6-difluorocinnamic acid;261762-48-5;3-(2-Chloro-3,6-difluorophenyl)acrylic acid;1163255-65-9;(E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid;(2E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid;SCHEMBL1167216;SCHEMBL1167219;DTXSID30420752;IHWVLAUNJHXFGN-DAFODLJHSA-N;MFCD01631464;AKOS015849873;PS-10086;EN300-1984567;(E)-3-(2-chloro-3,6-difluorophenyl)acrylic acid;A818254;3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid;(E)-3-(2-chloro-3,6-difluoro-phenyl)-acrylic acid

Chemical Property of 2-Chloro-3,6-difluorocinnamic acid

Chemical Property:

• Vapor Pressure: 0.000231mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 312.1°Cat760mmHg
• PKA: 3.99±0.18(Predicted)
• Flash Point: 142.5°C
• PSA: 37.30000
• Density: 1.503g/cm³
• LogP: 2.71600
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.9946134
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-3,6-difluorocinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)C=CC(=O)O)Cl)F
• Isomeric SMILES: C1=CC(=C(C(=C1F)/C=C/C(=O)O)Cl)F