4-Isocyanato-benzo[1,3]dioxole

Base Information

• Chemical Name: 4-Isocyanato-benzo[1,3]dioxole
• CAS No.: 90049-79-9
• Molecular Formula: C₈H₅NO₃
• Molecular Weight: 163.133
• DSSTox Substance ID: DTXSID80602081
• Mol file: 90049-79-9.mol

Synonyms:90049-79-9;4-isocyanato-1,3-benzodioxole;4-isocyanato-benzo[1,3]dioxole;1,3-Benzodioxole, 4-isocyanato-;4-isocyanato-1,3-dioxaindane;SCHEMBL3756039;DTXSID80602081;4-Isocyanato-2H-1,3-benzodioxole;DB-138606;EN300-23316636

Chemical Property of 4-Isocyanato-benzo[1,3]dioxole

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=CC=CC(=C2O1)N=C=O