3-Benzylphenyl isocyanate

Base Information

• Chemical Name: 3-Benzylphenyl isocyanate
• CAS No.: 480439-07-4
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2929109000
• European Community (EC) Number: 689-562-1
• DSSTox Substance ID: DTXSID00399562
• Mol file: 480439-07-4.mol

Synonyms:3-Benzylphenyl isocyanate;1-benzyl-3-isocyanatobenzene;480439-07-4;3'-benzylphenylisocyanate;3'-Isocyanatodiphenylmethane;3-Benzylphenyl isocyanate,97%;SCHEMBL1191679;3-Benzylphenyl isocyanate, 97%;DTXSID00399562;OUMFOCWUDYJGHI-UHFFFAOYSA-N;EN300-321880

Chemical Property of 3-Benzylphenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.000252mmHg at 25°C
• Refractive Index: n20/D 1.5880(lit.)
• Boiling Point: 324.1oC at 760 mmHg
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 1.106 g/mL at 25oC(lit.)
• LogP: 3.24470
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

3-BenzylphenylIsocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC(=CC=C2)N=C=O