3-Bromo-4,5-diethoxybenzonitrile

Base Information

• Chemical Name: 3-Bromo-4,5-diethoxybenzonitrile
• CAS No.: 514856-13-4
• Molecular Formula: C11H12BrNO2
• Molecular Weight: 270.12
• DSSTox Substance ID: DTXSID00399567
• Wikidata: Q82202210
• Mol file: 514856-13-4.mol

Synonyms:3-bromo-4,5-diethoxybenzonitrile;514856-13-4;3-bromo-4,5-diethoxy-benzonitrile;DTXSID00399567;Methyl3-aminopropionatehydrochloride;MFCD02256587;STK437201;AKOS000305206;AS-61172;CS-0308178;EN300-110493;Z57756803

Chemical Property of 3-Bromo-4,5-diethoxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.000291mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 321.8°C at 760 mmHg
• Flash Point: 148.4°C
• PSA: 42.25000
• Density: 1.41g/cm³
• LogP: 3.11818
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 269.00514
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

3-BROMO-4,5-DIETHOXY-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C(=CC(=C1)C#N)Br)OCC