MALONONITRILE, (o-FLUOROBENZYLIDENE)-

Base Information

Chemical Name:MALONONITRILE, (o-FLUOROBENZYLIDENE)-
CAS No.:2698-43-3
Molecular Formula:C10H5 F N2
Molecular Weight:172.162
Hs Code.:2926909090
NSC Number:637334
DSSTox Substance ID:DTXSID40181483
Nikkaji Number:J147.634C
Mol file:2698-43-3.mol

Synonyms:2698-43-3;2-[(2-fluorophenyl)methylidene]propanedinitrile;MALONONITRILE, (o-FLUOROBENZYLIDENE)-;2-Fluorobenzylidenemalononitrile;2-(2-Fluorobenzylidene)malononitrile;NSC637334;BRN 2613882;2-FLUOROBENZALMALONONITRILE;2-(2-Fluoro-benzylidene)-malononitrile;C10H5FN2;o-fluorobenzylidenemalononitrile;SCHEMBL3369090;DTXSID40181483;C10-H5-F-N2;MCK102993;AKOS002951720;NSC-637334;2-(2-Fluorobenzylidene)malononitrile #;LS-88942;Benzene, 1-fluoro-2(2,2-dicyanoethenyl);CS-0328168;2-[(2-fluorophenyl)methylene]propanedinitrile;6K-019;F3351-0490

Suppliers and Price of MALONONITRILE, (o-FLUOROBENZYLIDENE)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of MALONONITRILE, (o-FLUOROBENZYLIDENE)-

Chemical Property:

Vapor Pressure:0.00173mmHg at 25°C
Boiling Point:293.4°C at 760 mmHg
Flash Point:131.2°C
PSA：47.58000
Density:1.25g/cm³
LogP:2.25626
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:172.04367633
Heavy Atom Count:13
Complexity:283

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C=C(C#N)C#N)F

Technology Process of MALONONITRILE, (o-FLUOROBENZYLIDENE)-

There total 4 articles about MALONONITRILE, (o-FLUOROBENZYLIDENE)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

: 446-52-6
2-Fluorobenzaldehyde

: 109-77-3
malononitrile

: 2698-43-3
2-(2-fluorobenzylidene)malononitrile

Guidance literature:: With ammonium acetate; acetic acid; In toluene; at 135 - 140 ℃; Dean-Stark; Schlenk technique; Inert atmosphere;
DOI:10.1002/chem.201405899

Reference yield:

: 2-[Butylsulfanyl-(2-fluoro-phenyl)-methyl]-malononitrile

: 109-79-5
n-butanethiol

: 2698-43-3
2-(2-fluorobenzylidene)malononitrile

Guidance literature:: at 25 ℃; Equilibrium constant;
DOI:10.1139/v68-128

Reference yield:

: 446-51-5
2-fluorobenzyl alcohol

: 2698-43-3
2-(2-fluorobenzylidene)malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1: dihydrogen peroxide / water / 5 h / 90 °C

2: 30percent phosphotungstic acid (HPW) immobilized on mesoporous graphitic carbon nitride (mpg-C₃N₄) / water / 1 h / 90 °C

With dihydrogen peroxide; In water; 2: |Knoevenagel Condensation;
DOI:10.1039/c6cy01669c