4-Isocyanato-2,1,3-benzothiadiazole

Base Information

• Chemical Name: 4-Isocyanato-2,1,3-benzothiadiazole
• CAS No.: 342411-14-7
• Molecular Formula: C₇H₃N₃OS
• Molecular Weight: 177.186
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30379953
• Mol file: 342411-14-7.mol

Synonyms:342411-14-7;4-isocyanato-2,1,3-benzothiadiazole;2,1,3-Benzothiadiazol-4-yl isocyanate;4-isocyanatobenzo[c][1,2,5]thiadiazole;2,1,3-Benzothiadiazol-4-yl isoxyanate;2,1,3-Benzothiadiazol-4-ylisocyanate;2,1,3-Benzothiadiazole, 4-isocyanato-;SCHEMBL1021393;DTXSID30379953;MFCD02681903;AKOS006228837;MS-22174;FT-0608991;FT-0650651;EN300-151246;A822130;2,1,3-benzothiadiazol-4-yl isocyanate, AldrichCPR;J-515592;1-(4-METHOXY-PHENYL)-1H-INDOLE-2-CARBOXYLICACID

Chemical Property of 4-Isocyanato-2,1,3-benzothiadiazole

Chemical Property:

• Vapor Pressure: 0.00786mmHg at 25°C
• Melting Point: 81 °C
• Refractive Index: 1.772
• Boiling Point: 268.1 °C at 760 mmHg
• Flash Point: 115.9 °C
• PSA: 83.45000
• Density: 1.55 g/cm³
• LogP: 1.65860
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.99968290
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

4-isocyanato-2,1,3-benzothiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xn
• Statements: 20/21/22-36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1)N=C=O