1-Isocyanato-5,6,7,8-tetrahydronaphthalene

Base Information

• Chemical Name: 1-Isocyanato-5,6,7,8-tetrahydronaphthalene
• CAS No.: 57235-17-3
• Molecular Formula: C11H11NO
• Molecular Weight: 173.21114
• Hs Code.: 2929109000
• European Community (EC) Number: 624-228-0
• DSSTox Substance ID: DTXSID40400045
• Mol file: 57235-17-3.mol

Synonyms:57235-17-3;5-isocyanato-1,2,3,4-tetrahydronaphthalene;1-Isocyanato-5,6,7,8-tetrahydronaphthalene;1-Isocyanato-5,6,7,8-tetrahydronaphathalene;SCHEMBL1074719;DTXSID40400045;AKOS010078557;1-Isocyanato-5 6 7 8-tetrahydronaphthal&;EN300-146912;1-Isocyanato-5,6,7,8-tetrahydronaphthalene, 97%;Z1094719790

Chemical Property of 1-Isocyanato-5,6,7,8-tetrahydronaphthalene

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Refractive Index: n20/D 1.5640(lit.)
• Boiling Point: 294.6 °C at 760 mmHg
• Flash Point: 108.2 °C
• PSA: 29.43000
• Density: 1.12 g/cm³
• LogP: 2.53270
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2N=C=O