3-Bromo-4-methoxyphenethyl isocyanate

Base Information

• Chemical Name: 3-Bromo-4-methoxyphenethyl isocyanate
• CAS No.: 480439-05-2
• Molecular Formula: CH3OC6H3(Br)(CH2CH2NCO)
• Molecular Weight: 256.1
• Hs Code.: 2929109000
• DSSTox Substance ID: DTXSID70401722
• Mol file: 480439-05-2.mol

Synonyms:3-Bromo-4-methoxyphenethyl isocyanate;480439-05-2;2-bromo-4-(2-isocyanatoethyl)-1-methoxybenzene;SCHEMBL1847331;DTXSID70401722;3-Bromo-4-methoxyphenethyl isocyanate, 97%;EN300-1914867

Chemical Property of 3-Bromo-4-methoxyphenethyl isocyanate

Chemical Property:

• Vapor Pressure: 0.000165mmHg at 25°C
• Refractive Index: n20/D 1.5670(lit.)
• Boiling Point: 300-301 °C(lit.)
• Flash Point: 130 °F
• PSA: 38.66000
• Density: 1.461 g/mL at 25 °C(lit.)
• LogP: 2.33600
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.98949
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

3-BROMO-4-METHOXYPHENETHYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38-42
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN=C=O)Br