3,4-Dihydro-2H-1,5-benzodioxepin-7-yl isocyanate

Base Information

• Chemical Name: 3,4-Dihydro-2H-1,5-benzodioxepin-7-yl isocyanate
• CAS No.: 368869-87-8
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.18300
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20380038
• Mol file: 368869-87-8.mol

Synonyms:368869-87-8;3,4-Dihydro-2H-1,5-benzodioxepin-7-yl isocyanate;7-isocyanato-3,4-dihydro-2H-1,5-benzodioxepine;3,4-Dihydro-2h-1,5-benzodioxepin-7-ylisocyanate;SCHEMBL1019756;DTXSID20380038;MFCD02681909;AKOS009158179;BS-28179;FT-0614304;A823434;J-511168;7-isocyanato-3,4-dihydro-2H-benzo[b][1,4]dioxepine

Chemical Property of 3,4-Dihydro-2H-1,5-benzodioxepin-7-yl isocyanate

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Boiling Point: 302.2oC at 760 mmHg
• Flash Point: 146.5oC
• PSA: 47.89000
• Density: 1.26g/cm3
• LogP: 1.81520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dihydro-2h-1,5-benzodioxepin-7-ylisocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C=C(C=C2)N=C=O)OC1