2-Chloro-5-fluorophenylisothiocyanate

Base Information

• Chemical Name: 2-Chloro-5-fluorophenylisothiocyanate
• CAS No.: 362690-57-1
• Molecular Formula: C₇H₃ClFNS
• Molecular Weight: 187.625
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10373954
• Mol file: 362690-57-1.mol

Synonyms:362690-57-1;2-chloro-5-fluorophenylisothiocyanate;2-Chloro-5-fluorophenyl isothiocyanate;1-chloro-4-fluoro-2-isothiocyanatobenzene;Benzene,1-chloro-4-fluoro-2-isothiocyanato-;SCHEMBL4191737;DTXSID10373954;AKOS006277223;FS-5043

Chemical Property of 2-Chloro-5-fluorophenylisothiocyanate

Chemical Property:

• Boiling Point: 268.3±25.0 °C(Predicted)
• PSA: 44.45000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 3.21340
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.9658761
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

1-CHLORO-4-FLUORO-2-ISOTHIOCYANATO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N=C=S)Cl