1-Fluoro-2-isothiocyanato-4-methylbenzene

Base Information

• Chemical Name: 1-Fluoro-2-isothiocyanato-4-methylbenzene
• CAS No.: 832113-98-1
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.2
• Hs Code.: 2930909090
• European Community (EC) Number: 675-133-6
• DSSTox Substance ID: DTXSID40374611
• Mol file: 832113-98-1.mol

Synonyms:1-fluoro-2-isothiocyanato-4-methylbenzene;832113-98-1;2-Fluoro-5-methylphenyl isothiocyanate;SCHEMBL15221620;DTXSID40374611;2-Fluoro-5-methylphenylisothiocyanate;FT-0691046;EN300-59060

Chemical Property of 1-Fluoro-2-isothiocyanato-4-methylbenzene

Chemical Property:

• PSA: 44.45000
• LogP: 2.86840
• 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

2-Fluoro-5-methylphenylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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