4-Chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylatato

Base Information

• Chemical Name: 4-Chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylatato
• CAS No.: 193338-31-7
• Molecular Formula: C7H7 Cl O4
• Molecular Weight: 190.58
• Hs Code.: 29181998
• DSSTox Substance ID: DTXSID80941008
• Wikidata: Q82917773
• Mol file: 193338-31-7.mol

Synonyms:DTXSID80941008;4-Chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylatato

Chemical Property of 4-Chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylatato

Chemical Property:

• Vapor Pressure: 4.31E-08mmHg at 25°C
• Boiling Point: 400.8°Cat760mmHg
• PKA: 4.07±0.60(Predicted)
• Flash Point: 196.2°C
• PSA: 77.76000
• Density: g/cm³
• LogP: -0.14450
• Storage Temp.: Freezer (-20°C)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 188.9954614
• Heavy Atom Count: 12
• Complexity: 263

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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