4-Isocyanato-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Base Information

• Chemical Name: 4-Isocyanato-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
• CAS No.: 859850-96-7
• Molecular Formula: C11H5 F3 N2 O S
• Molecular Weight: 270.23
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20428222
• Mol file: 859850-96-7.mol

Synonyms:4-isocyanato-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;859850-96-7;SCHEMBL3057289;DTXSID20428222;IQCOJGXZAPJEPM-UHFFFAOYSA-N;MFCD07772871;FT-0732469

Chemical Property of 4-Isocyanato-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Chemical Property:

• Vapor Pressure: 0.000176mmHg at 25°C
• Melting Point: 51 °C
• Refractive Index: 1.585
• Boiling Point: 329.6°C at 760 mmHg
• PKA: -0.56±0.10(Predicted)
• Flash Point: 153.1°C
• PSA: 70.56000
• Density: 1.43g/cm³
• LogP: 3.79620
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 270.00746845
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

98%min ^*data from raw suppliers

4-ISOCYANATO-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-42
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=CS2)N=C=O)C(F)(F)F