1-Chloro-3-(2-isocyanatoethyl)benzene

Base Information

• Chemical Name: 1-Chloro-3-(2-isocyanatoethyl)benzene
• CAS No.: 62334-11-6
• Molecular Formula: C9H8ClNO
• Molecular Weight: 181.61900
• Hs Code.: 2929109000
• European Community (EC) Number: 871-358-0
• DSSTox Substance ID: DTXSID80562792
• Mol file: 62334-11-6.mol

Synonyms:1-chloro-3-(2-isocyanatoethyl)benzene;3-Chlorophenethyl isocyanate;62334-11-6;Benzene, 1-chloro-3-(2-isocyanatoethyl)-;SCHEMBL1851734;DTXSID80562792;3-CHLOROPHENETHYL ISOCYANATE, 97%;CS-0246141;EN300-318052

Chemical Property of 1-Chloro-3-(2-isocyanatoethyl)benzene

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 263.5oC at 760 mmHg
• Flash Point: >230 °F
• PSA: 29.43000
• Density: 1.2400 g/mL at 25oC(lit.)
• LogP: 2.21830
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.0294416
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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