2-Fluoro-7,7,8,8-tetracyanoquinodimethane

Base Information

• Chemical Name: 2-Fluoro-7,7,8,8-tetracyanoquinodimethane
• CAS No.: 69857-37-0
• Molecular Formula: C12H3 F N4
• Molecular Weight: 222.181
• Hs Code.: 2926909090
• European Community (EC) Number: 677-403-9
• DSSTox Substance ID: DTXSID30599533
• Nikkaji Number: J658.358J
• Wikidata: Q82495429
• Mol file: 69857-37-0.mol

Synonyms:2-Fluoro-7,7,8,8-tetracyanoquinodimethane;69857-37-0;2-[4-(DICYANOMETHYLIDENE)-3-FLUOROCYCLOHEXA-2,5-DIEN-1-YLIDENE]PROPANEDINITRILE;FTCNQ;SCHEMBL259147;DTXSID30599533;BXPLEMMFZOKIHP-UHFFFAOYSA-N;MFCD08276377;CS-0373799;F0509;D90676;2,2'-(2-Fluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile;2,2'-(2-Fluorocyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile;Propanedinitrile, 2,2'-(2-fluoro-2,5-cyclohexadiene-1,4-diylidene)bis-;Propanedinitrile,2,2'-(2-fluoro-2,5-cyclohexadiene-1,4-diylidene)bis-;2-[4-(DICYANOMETHYLIDENE)-2-FLUOROCYCLOHEXA-2,5-DIEN-1-YLIDENE]PROPANEDINITRILE

Chemical Property of 2-Fluoro-7,7,8,8-tetracyanoquinodimethane

Chemical Property:

• Melting Point: 216 °C
• Boiling Point: 131.6oC at 760 mmHg
• Flash Point: 33.4oC
• PSA: 95.16000
• Density: 1.38g/cm3
• LogP: 0.22142
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 222.03417427
• Heavy Atom Count: 17
• Complexity: 659

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Fluoro-7,7,8,8-tetracyanoquinodimethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)F

Technology Process of 2-Fluoro-7,7,8,8-tetracyanoquinodimethane

There total 2 articles about 2-Fluoro-7,7,8,8-tetracyanoquinodimethane 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:

2-(4-Dicyanomethyl-2-fluoro-phenyl)-malononitrile (69857-36-9) → 2-fluoro-7,7,8,8-tetracyano-1,4-quinodimethane (69857-37-0)

Guidance literature:

With bromine; In water;

DOI:10.1039/c39780000992

Reference yield:

Dicyano-[4-(dicyano-methoxycarbonyl-methyl)-2-fluoro-phenyl]-acetic acid methyl ester → 2-fluoro-7,7,8,8-tetracyano-1,4-quinodimethane (69857-37-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. KOH, (ii) aq. HCl

2: Br₂ / H₂O

With bromine; In water;

DOI:10.1039/c39780000992

Reference yield: 69.0%

2-fluoro-7,7,8,8-tetracyano-1,4-quinodimethane (69857-37-0) + 4-[(2''-imidazolyl)-1',3'-dithiol-2'ylidene]-1,3-dithiole (564480-29-1) → 5C12H3FN4*6C9H6N2S4

Guidance literature:

In dimethyl sulfoxide; acetonitrile; at 20 ℃;

DOI:10.1021/ja072607m

upstream raw materials:

2-(4-Dicyanomethyl-2-fluoro-phenyl)-malononitrile