2,6-Dichlorophenethyl isocyanate

Base Information

• Chemical Name: 2,6-Dichlorophenethyl isocyanate
• CAS No.: 480439-03-0
• Molecular Formula: C9H7Cl2NO
• Molecular Weight: 216.066
• Hs Code.: 2929109000
• European Community (EC) Number: 622-313-7
• DSSTox Substance ID: DTXSID60394058
• Mol file: 480439-03-0.mol

Synonyms:2,6-Dichlorophenethyl isocyanate;1,3-dichloro-2-(2-isocyanatoethyl)benzene;480439-03-0;2,6-Dichlorophenethyl isocyanate, 97%;SCHEMBL1852165;DTXSID60394058;AKOS015913037;CS-0246157;FT-0759235;EN300-318237

Chemical Property of 2,6-Dichlorophenethyl isocyanate

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Refractive Index: n20/D 1.5570(lit.)
• Boiling Point: 255-256 °C(lit.)
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 1.331 g/mL at 25 °C(lit.)
• LogP: 2.87170
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.9904692
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

95% ^*data from raw suppliers

1,3-dichloro-2-(2-isocyanatoethyl)benzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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