3-(5-Bromo-2-methoxyphenyl)propanenitrile

Base Information

• Chemical Name: 3-(5-Bromo-2-methoxyphenyl)propanenitrile
• CAS No.: 163259-83-4
• Molecular Formula: C10H10 Br N O
• Molecular Weight: 240.1
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60698846
• Wikidata: Q82629363
• Mol file: 163259-83-4.mol

Synonyms:3-(5-Bromo-2-methoxyphenyl)propanenitrile;163259-83-4;3-(5-BROMO-2-METHOXY-PHENYL)PROPIONITRILE;DTXSID60698846;AKOS010793635;EN300-1893530

Chemical Property of 3-(5-Bromo-2-methoxyphenyl)propanenitrile

Chemical Property:

• Boiling Point: 355.0±27.0 °C(Predicted)
• PSA: 33.02000
• Density: 1.393±0.06 g/cm3(Predicted)
• LogP: 2.91388
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.99458
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

98.5% ^*data from raw suppliers

3-(5-bromo-2-methoxy-phenyl)propionitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)CCC#N