4-Fluoro-2-methylphenyl isothiocyanate

Base Information

• Chemical Name: 4-Fluoro-2-methylphenyl isothiocyanate
• CAS No.: 52317-97-2
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.2
• Hs Code.: 2930909090
• European Community (EC) Number: 670-563-0
• DSSTox Substance ID: DTXSID60372038
• Mol file: 52317-97-2.mol

Synonyms:4-Fluoro-2-methylphenyl isothiocyanate;52317-97-2;4-fluoro-1-isothiocyanato-2-methylbenzene;4-Fluoro-2-methylphenylisothiocyanate;Benzene, 4-fluoro-1-isothiocyanato-2-methyl-;SCHEMBL893836;DTXSID60372038;WFIPMZZOAIIOOG-UHFFFAOYSA-N;MFCD00046805;AKOS000212042;FS-4548;4-fluoro-1-isothiocyanato-2-methyl-benzene;FT-0618459;4-fluoranyl-1-isothiocyanato-2-methyl-benzene;A829026

Chemical Property of 4-Fluoro-2-methylphenyl isothiocyanate

Chemical Property:

• Boiling Point: 252.8 °C at 760 mmHg
• Flash Point: 106.7 °C
• PSA: 44.45000
• Density: 1.12 g/cm³
• LogP: 2.86840
• Sensitive.: Moisture Sensitive/Lachrymatory
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.02049853
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-2-methylphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C;T;Xi
• Hazard Codes: C,T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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