4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate

Base Information

• Chemical Name: 4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate
• CAS No.: 351003-67-3
• Molecular Formula: C9H6F3NS
• Molecular Weight: 217.2108496
• Hs Code.: 2930909090
• European Community (EC) Number: 621-881-3
• DSSTox Substance ID: DTXSID70399054
• Mol file: 351003-67-3.mol

Synonyms:4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate;351003-67-3;4-isothiocyanato-1-methyl-2-(trifluoromethyl)benzene;SCHEMBL13813270;DTXSID70399054;VMHJLSOAWHGDMT-UHFFFAOYSA-N;AKOS011050116;3-(TRIFLUOROMETHYL)-4-METHYLPHENYL ISOT&;J-019937;4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate, 98%

Chemical Property of 4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.0279mmHg at 25°C
• Refractive Index: n20/D 1.5635(lit.)
• Boiling Point: 208 °C(lit.)
• Flash Point: 135 °F
• PSA: 44.45000
• Density: 1.291 g/mL at 25 °C(lit.)
• LogP: 3.74810
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 217.01730486
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-3-(trifluoromethyl)phenyl isothiocyanate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N=C=S)C(F)(F)F

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