3,5-Dimethoxyphenethyl isocyanate

Base Information

• Chemical Name: 3,5-Dimethoxyphenethyl isocyanate
• CAS No.: 480439-01-8
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.228
• Hs Code.: 2929109000
• European Community (EC) Number: 623-005-5
• DSSTox Substance ID: DTXSID20404728
• Mol file: 480439-01-8.mol

Synonyms:3,5-Dimethoxyphenethyl isocyanate;480439-01-8;1-(2-isocyanatoethyl)-3,5-dimethoxybenzene;SCHEMBL1847534;DTXSID20404728;AKOS024015183;3,5-Dimethoxyphenethyl isocyanate,97%;3,5-Dimethoxyphenethyl isocyanate, 97%;FT-0759771;EN300-182886;Z1509618456

Chemical Property of 3,5-Dimethoxyphenethyl isocyanate

Chemical Property:

• Vapor Pressure: 0.000248mmHg at 25°C
• Refractive Index: n20/D 1.5330(lit.)
• Boiling Point: 309-310 °C(lit.)
• Flash Point: >230 °F
• PSA: 47.89000
• Density: 1.154 g/mL at 25 °C(lit.)
• LogP: 1.58210
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

1-(2-isocyanatoethyl)-3,5-dimethoxybenzene ^*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: COC1=CC(=CC(=C1)CCN=C=O)OC