3-(Dimethylamino)-2-(3-fluorobenzoyl)acrylonitrile

Base Information

• Chemical Name: 3-(Dimethylamino)-2-(3-fluorobenzoyl)acrylonitrile
• CAS No.: 96249-05-7
• Molecular Formula: C12H11 F N2 O
• Molecular Weight: 218.22700
• DSSTox Substance ID: DTXSID80562893
• Wikidata: Q82447187
• Mol file: 96249-05-7.mol

Synonyms:96249-05-7;3-(DIMETHYLAMINO)-2-(3-FLUOROBENZOYL)ACRYLONITRILE;(E)-3-(dimethylamino)-2-(3-fluorobenzoyl)prop-2-enenitrile;(Z)-3-(dimethylamino)-2-(3-fluorobenzoyl)acrylonitrile;DTXSID80562893;BENZENEPROPANENITRILE,A-[(DIMETHYLAMINO)METHYLENE]-3-FLUORO-B-OXO-;A19357;(2E)-3-(Dimethylamino)-2-(3-fluorobenzoyl)prop-2-enenitrile

Chemical Property of 3-(Dimethylamino)-2-(3-fluorobenzoyl)acrylonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 407.061oC at 760 mmHg
• Flash Point: 199.983oC
• PSA: 44.10000
• Density: 1.178g/cm3
• LogP: 1.97748
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.08554114
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

99%min ^*data from raw 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=C1)F
• Isomeric SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC(=CC=C1)F