4-(Difluoromethoxy)phenyl isothiocyanate

Base Information

• Chemical Name: 4-(Difluoromethoxy)phenyl isothiocyanate
• CAS No.: 189281-92-3
• Molecular Formula: C8H5 F2 N O S
• Molecular Weight: 201.1932064
• Hs Code.: 2930909090
• European Community (EC) Number: 621-927-2
• DSSTox Substance ID: DTXSID10366280
• Mol file: 189281-92-3.mol

Synonyms:189281-92-3;1-(difluoromethoxy)-4-isothiocyanatobenzene;4-(Difluoromethoxy)phenyl isothiocyanate;4-(Difluoromethoxy)phenylisothiocyanate;1-Difluoromethoxy-4-isothiocyanato-benzene;4-difluoromethoxyphenylisothiocyanate;Benzene, 1-(difluoromethoxy)-4-isothiocyanato-;C8H5F2NOS;SCHEMBL1588318;DTXSID10366280;HMS1722O08;MFCD00540035;4-difluoromethoxyphenyl isothiocyanate;AKOS000115255;FS-4693;FT-0690729;EN300-01237;Z56869311

Chemical Property of 4-(Difluoromethoxy)phenyl isothiocyanate

Chemical Property:

• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 252-255 °C(lit.)
• PSA: 53.68000
• Density: 1.33 g/mL at 25 °C(lit.)
• LogP: 3.02230
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 201.00599128
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

98%Min ^*data from raw suppliers

1-(Difluoromethoxy)-4-isothiocyanatobenzene ^*data from reagent suppliers

Safty Information:

• 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=C1N=C=S)OC(F)F