4-(Trifluoromethylthio)benzylamine

Base Information

• Chemical Name: 4-(Trifluoromethylthio)benzylamine
• CAS No.: 128273-56-3
• Molecular Formula: C8H8F3NS
• Molecular Weight: 207.219
• Hs Code.: 29309090
• European Community (EC) Number: 623-360-6
• DSSTox Substance ID: DTXSID60380693
• Wikidata: Q72513063
• Mol file: 128273-56-3.mol

Synonyms:4-(Trifluoromethylthio)benzylamine;128273-56-3;(4-((trifluoromethyl)thio)phenyl)methanamine;[4-(trifluoromethylsulfanyl)phenyl]methanamine;{4-[(trifluoromethyl)sulfanyl]phenyl}methanamine;MFCD00190129;1-{4-[(trifluoromethyl)thio]phenyl}methanamine;SCHEMBL1146178;4-(trifluromethylthio)benzylamine;DTXSID60380693;LACURGWEZCFLBO-UHFFFAOYSA-N;4-[(trifluoromethyl)thio]benzylamine;BBL102590;STL556393;4-TRIFLUOROMETHYLTHIOBENZYLAMINE;AKOS000130248;PS-8064;SB78453;4-(Trifluoromethylthio)benzylamine, 97%;(4-(trifluoromethylthio)phenyl)methanamine;FT-0616955;T2763;EN300-86539;Benzenemethanamine, 4-[(trifluoromethyl)thio]-;A805803;5-(TRIMETHYLSILYL)-2-THIOPHENECARBOXYLICACID;J-005588;1-{4-[(TRIFLUOROMETHYL)SULFANYL]PHENYL}METHANAMINE

Chemical Property of 4-(Trifluoromethylthio)benzylamine

Chemical Property:

• Vapor Pressure: 0.633mmHg at 25°C
• Melting Point: 224-225 °C (760 MMHG)
• Refractive Index: n20/D 1.5040(lit.)
• Boiling Point: 382.9 °C at 760 mmHg
• PKA: 8.66±0.10(Predicted)
• Flash Point: 185.4 °C
• PSA: 51.32000
• Density: 1.386 g/cm³
• LogP: 3.45750
• Sensitive.: Stench
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 207.03295492
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Trifluoromethylthio)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)SC(F)(F)F