2-Furoyl isothiocyanate

Base Information

• Chemical Name: 2-Furoyl isothiocyanate
• CAS No.: 80440-95-5
• Molecular Formula: C6H3NO2S
• Molecular Weight: 153.15852
• Hs Code.: 2932190090
• European Community (EC) Number: 860-777-4,671-041-5
• DSSTox Substance ID: DTXSID50374703
• Nikkaji Number: J3.121.908F
• Mol file: 80440-95-5.mol

Synonyms:2-Furoyl isothiocyanate;80440-95-5;furan-2-carbonyl isothiocyanate;Furancarbonyl isothiocyanate;2-Furoylisothiocyanate;26172-44-1;furoyl isothiocyanate;2-Furancarbonyl isothiocyanate;SCHEMBL3499665;DTXSID50374703;2-furanyl(isothiocyanato)methanone;ILQPDHJLKUOZTC-UHFFFAOYSA-N;furan-2-yl(isothiocyanato)methanone;MFCD00060332;AKOS000111507;BP-10135;FT-0641761;EN300-20131;A839911

Chemical Property of 2-Furoyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.0879mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 225.1 °C at 760 mmHg
• Flash Point: 90 °C
• PSA: 74.66000
• Density: 1.3 g/cm³
• LogP: 1.52260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.98844951
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

99%, ^*data from raw suppliers

2-Furoylisothiocyanate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)N=C=S