Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester
• CAS No.: 135813-15-9
• Molecular Formula: C13H13ClF3NO3S
• Molecular Weight: 355.7604
• DSSTox Substance ID: DTXSID70159559

Synonyms:135813-15-9;Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester;Benzoic acid, 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]-, 2,2,2-trifluoroethyl ester;DTXSID70159559;2,2,2-trifluoroethyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate

Chemical Property of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Boiling Point: 364.6°C at 760 mmHg
• Flash Point: 174.3°C
• Density: 1.406g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 355.0256766
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC(F)(F)F

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