3-(Chlorosulfonyl)-4,5-dimethylbenzoic acid

Base Information

• Chemical Name: 3-(Chlorosulfonyl)-4,5-dimethylbenzoic acid
• CAS No.: 151104-64-2
• Molecular Formula: C9H9ClO4S
• Molecular Weight: 248.68336
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00397043
• Wikidata: Q82198063
• Mol file: 151104-64-2.mol

Synonyms:3-(Chlorosulfonyl)-4,5-dimethylbenzoic acid;151104-64-2;3-chlorosulfonyl-4,5-dimethyl-benzoic Acid;3-chlorosulfonyl-4,5-dimethylbenzoic acid;3-(Chlorosulfonyl)-4,5-dimethylbenzoicacid;Benzoic acid, 3-(chlorosulfonyl)-4,5-dimethyl-;DTXSID00397043;BGA10464;MFCD06654899;AKOS000122282;CS-0307550;EN300-01847;A884110;J-510847;3-chlorosulfonyl-4,5-dimethyl-benzoic acid, AldrichCPR;Z104504804

Chemical Property of 3-(Chlorosulfonyl)-4,5-dimethylbenzoic acid

Chemical Property:

• PSA: 79.82000
• LogP: 3.00990
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 247.9910076
• Heavy Atom Count: 15
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

3-(Chlorosulfonyl)-4,5-dimethylbenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)S(=O)(=O)Cl)C(=O)O