(3-Oxo-1,3-dihydro-isobenzofuran-1-YL)-acetonitrile

Base Information

• Chemical Name: (3-Oxo-1,3-dihydro-isobenzofuran-1-YL)-acetonitrile
• CAS No.: 18327-98-5
• Molecular Formula: C₁₀H₇NO₂
• Molecular Weight: 173.171
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID60570739
• Mol file: 18327-98-5.mol

Synonyms:18327-98-5;(3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-1-YL)-ACETONITRILE;2-(3-OXO-1H-2-BENZOFURAN-1-YL)ACETONITRILE;(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetonitrile;2-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile;SCHEMBL6086241;DTXSID60570739;LGLLUFNSKWOZQQ-UHFFFAOYSA-N;AKOS006290322;AC-17758

Chemical Property of (3-Oxo-1,3-dihydro-isobenzofuran-1-YL)-acetonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 400.728°C at 760 mmHg
• Flash Point: 195.531°C
• PSA: 50.09000
• Density: 1.264g/cm³
• LogP: 1.81178
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 265

Purity/Quality:

(3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-1-YL)-ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC2=O)CC#N

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