6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one

Base Information

• Chemical Name: 6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one
• CAS No.: 53542-37-3
• Molecular Formula: C14H6 F4 O S
• Molecular Weight: 298.2554528
• European Community (EC) Number: 258-618-3
• DSSTox Substance ID: DTXSID30968301
• Nikkaji Number: J295.989E
• Wikidata: Q82951059
• Mol file: 53542-37-3.mol

Synonyms:6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one;53542-37-3;6-fluoro-2-(trifluoromethyl)thioxanthen-9-one;EINECS 258-618-3;C14H6F4OS;SCHEMBL11158985;DTXSID30968301;C14-H6-F4-O-S

Chemical Property of 6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one

Chemical Property:

• Vapor Pressure: 4.74E-06mmHg at 25°C
• Boiling Point: 382.4°Cat760mmHg
• Flash Point: 185.1°C
• PSA: 45.31000
• Density: 1.493g/cm³
• LogP: 4.57260
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 298.00754863
• Heavy Atom Count: 20
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)C(=O)C3=C(S2)C=C(C=C3)F