5-Fluoro-2-(methylsulfonyl)benzoic acid

Base Information

• Chemical Name: 5-Fluoro-2-(methylsulfonyl)benzoic acid
• CAS No.: 773873-55-5
• Molecular Formula: C8H7 F O4 S
• Molecular Weight: 218.2
• Hs Code.: 2916399090
• European Community (EC) Number: 674-382-8
• DSSTox Substance ID: DTXSID40382251
• Wikidata: Q82173563
• Mol file: 773873-55-5.mol

Synonyms:5-Fluoro-2-(methylsulfonyl)benzoic acid;773873-55-5;5-fluoro-2-methylsulfonylbenzoic acid;5-fluoro-2-methanesulfonylbenzoic acid;5-fluoro-2-(methylsulphonyl)benzoic acid;5-FLUORO-2-(METHYLSULFONYL)BENZOICACID;SCHEMBL3036282;DTXSID40382251;UYODNSHQTPLEAS-UHFFFAOYSA-N;MFCD04037937;AKOS015853233;PS-6404;CS-0376038;FT-0676968;F83889;EN300-3551639;A839078;5-Fluoro-2-(methylsulfonyl)benzoic acid, AldrichCPR

Chemical Property of 5-Fluoro-2-(methylsulfonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.41E-08mmHg at 25°C
• Melting Point: 147-149°C
• Refractive Index: 1.542
• Boiling Point: 425.4°C at 760 mmHg
• Flash Point: 211°C
• PSA: 79.82000
• Density: 1.474g/cm³
• LogP: 2.00820
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.00490804
• Heavy Atom Count: 14
• Complexity: 319

Purity/Quality:

98%min ^*data from raw suppliers

5-Fluoro-2-(methylsulfonyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=C(C=C1)F)C(=O)O