4-Ethylphenethyl isocyanate

Base Information

• Chemical Name: 4-Ethylphenethyl isocyanate
• CAS No.: 480439-00-7
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2929109000
• European Community (EC) Number: 693-551-7
• DSSTox Substance ID: DTXSID20404425
• Mol file: 480439-00-7.mol

Synonyms:4-Ethylphenethyl isocyanate;480439-00-7;1-ethyl-4-(2-isocyanatoethyl)benzene;SCHEMBL1148243;4-Ethylphenethyl isocyanate,97%;DTXSID20404425;4-Ethylphenethyl isocyanate, 97%;EN300-2000713

Chemical Property of 4-Ethylphenethyl isocyanate

Chemical Property:

• Vapor Pressure: 0.00886mmHg at 25°C
• Refractive Index: n20/D 1.5150(lit.)
• Boiling Point: 225-226 °C(lit.)
• Flash Point: 170 °F
• PSA: 29.43000
• Density: 1.008 g/mL at 25 °C(lit.)
• LogP: 2.12730
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

4-Ethylphenethyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 20/21/22-36/37/38-42/43-51/53
• Safety Statements: 23-26-36/37-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CCN=C=O