2-Ethyl-6-methylbenzonitrile

Base Information

• Chemical Name: 2-Ethyl-6-methylbenzonitrile
• CAS No.: 95881-22-4
• Molecular Formula: C10H11N
• Molecular Weight: 145.2
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10408078
• Wikidata: Q82213443
• Mol file: 95881-22-4.mol

Synonyms:2-ethyl-6-methylbenzonitrile;95881-22-4;2-ethyl-6-methyl-benzonitrile;SCHEMBL3859990;DTXSID10408078;CTDSMBHUQCGSOQ-UHFFFAOYSA-N;MFCD00052864;AKOS025116842;BENZONITRILE,2-ETHYL-6-METHYL-;CS-0335855;FT-0612255

Chemical Property of 2-Ethyl-6-methylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.0631mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 231.2 °C at 760 mmHg
• Flash Point: 93.5 °C
• PSA: 23.79000
• Density: 0.97 g/cm³
• LogP: 2.42908
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.089149355
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

2-Ethyl-6-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1C#N)C

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