3,4-Dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate

Base Information

• Chemical Name: 3,4-Dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate
• CAS No.: 205587-32-2
• Molecular Formula: C7H6 Cl2 O4
• Molecular Weight: 224.0187
• Hs Code.: 29181998
• DSSTox Substance ID: DTXSID30942747
• Wikidata: Q82919756
• Mol file: 205587-32-2.mol

Synonyms:DTXSID30942747;3,4-Dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate

Chemical Property of 3,4-Dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.55E-07mmHg at 25°C
• Melting Point: 195-200oC
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 385.6°Cat760mmHg
• Flash Point: 187°C
• PSA: 77.76000
• Density: g/cm³
• LogP: 0.42200
• Storage Temp.: Freezer (-20°C)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 222.9564890
• Heavy Atom Count: 13
• Complexity: 302

Purity/Quality:

98%min ^*data from raw suppliers

(2R,3R)-1-CARBOXY-4,5-DICHLORO-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(C(C(=C1Cl)Cl)O)O)C(=O)[O-]
• Isomeric SMILES: C1=C([C@H]([C@H](C(=C1Cl)Cl)O)O)C(=O)[O-]

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