2-Chloro-5-formylbenzenesulphonic acid

Base Information

• Chemical Name: 2-Chloro-5-formylbenzenesulphonic acid
• CAS No.: 80284-63-5
• Molecular Formula: C7H5ClO4S
• Molecular Weight: 220.6302
• European Community (EC) Number: 279-440-2
• DSSTox Substance ID: DTXSID201001144
• Nikkaji Number: J320.256I
• Wikidata: Q82994963
• Mol file: 80284-63-5.mol

Synonyms:2-Chloro-5-formylbenzenesulphonic acid;80284-63-5;EINECS 279-440-2;2-chloro-5-formylbenzenesulfonic acid;SCHEMBL10389237;DTXSID201001144;2-Chloro-5-formylbenzene-1-sulfonic acid

Chemical Property of 2-Chloro-5-formylbenzenesulphonic acid

Chemical Property:

• PKA: -1.40±0.33(Predicted)
• PSA: 79.82000
• Density: 1.624g/cm³
• LogP: 2.48000
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.9597075
• Heavy Atom Count: 13
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)S(=O)(=O)O)Cl

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