2-(2-Bromobenzoyl)-3-(dimethylamino)acrylonitrile

Base Information

• Chemical Name: 2-(2-Bromobenzoyl)-3-(dimethylamino)acrylonitrile
• CAS No.: 886361-83-7
• Molecular Formula: C12H11 Br N2 O
• Molecular Weight: 279.13
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20594714
• Mol file: 886361-83-7.mol

Synonyms:886361-83-7;2-(2-Bromobenzoyl)-3-(dimethylamino)acrylonitrile;(E)-2-(2-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile;3-(Dimethylamino)-2-(2-bromobenzoyl)acrylonitrile;(2E)-2-[(E)-2-bromobenzoyl]-3-(dimethylamino)prop-2-enenitrile;(E)-2-(2-bromobenzoyl)-3-(dimethylamino)acrylonitrile;DTXSID20594714;MFCD08276956;AKOS005070529;(4-ACETYL-PIPERIDIN-1-YL)-ACETICACID;A19268;4Z-0827;J-501834;(2E)-2-(2-Bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile

Chemical Property of 2-(2-Bromobenzoyl)-3-(dimethylamino)acrylonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 454.366°C at 760 mmHg
• PKA: 0.98±0.70(Predicted)
• Flash Point: 228.593°C
• PSA: 44.10000
• Density: 1.415g/cm³
• LogP: 2.60088
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 278.00548
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Bromobenzoyl)-3-(dimethylamino)acrylonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=C(C#N)C(=O)C1=CC=CC=C1Br
• Isomeric SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC=CC=C1Br