1-Chloro-4-(1-isocyanoethyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(1-isocyanoethyl)benzene
• CAS No.: 131025-44-0
• Molecular Formula: C9H8ClN
• Molecular Weight: 165.62
• Hs Code.: 2929900090
• DSSTox Substance ID: DTXSID30373875
• Mol file: 131025-44-0.mol

Synonyms:1-(4-chlorophenyl)ethyl isocyanide;131025-44-0;1-chloro-4-(1-isocyanoethyl)benzene;SCHEMBL3901288;DTXSID30373875;1-(4-chlorophenyl)ethylisocyanide;BBL021250;MFCD04117517;STK893956;AKOS005144082;EN300-1985839

Chemical Property of 1-Chloro-4-(1-isocyanoethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 2.55100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 165.0345270
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

95% ^*data from raw suppliers

1-(4-Chlorophenyl)EthylIsocyanide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Cl)[N+]#[C-]