1-Isocyano-2,3-dimethylbenzene

Base Information

• Chemical Name: 1-Isocyano-2,3-dimethylbenzene
• CAS No.: 2980-86-1
• Molecular Formula: C9H9 N
• Molecular Weight: 131.17446
• DSSTox Substance ID: DTXSID501305997
• Mol file: 2980-86-1.mol

Synonyms:1-isocyano-2,3-dimethylbenzene;2980-86-1;BENZENE, 1-ISOCYANO-2,3-DIMETHYL- (9CI);xylyl isocyanide;SCHEMBL985928;DTXSID501305997;AKOS006277760;EN300-1176876

Chemical Property of 1-Isocyano-2,3-dimethylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 2.08490
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 131.073499291
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

2,3-DIMETHYLPHENYL ISOCYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)[N+]#[C-])C