3-Isocyano-2,4-dimethylbenzoate

Base Information

• Chemical Name: 3-Isocyano-2,4-dimethylbenzoate
• CAS No.: 730964-94-0
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.18
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40700633
• Wikidata: Q82632057
• Mol file: 730964-94-0.mol

Synonyms:3-isocyano-2,4-dimethylbenzoate;DTXSID40700633

Chemical Property of 3-Isocyano-2,4-dimethylbenzoate

Chemical Property:

• PSA: 26.30000
• LogP: 1.56310
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.055503498
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-isocyano-4-methylbenzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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