Tetrafluoroterephthalonitrile

Base Information

• Chemical Name: Tetrafluoroterephthalonitrile
• CAS No.: 1835-49-0
• Molecular Formula: C8F4N2
• Molecular Weight: 200.095
• Hs Code.: 29269090
• European Community (EC) Number: 217-397-3
• NSC Number: 97007
• UNII: K9NAY7JK97
• DSSTox Substance ID: DTXSID1075141
• Nikkaji Number: J1.782E
• Wikidata: Q72505256
• ChEMBL ID: CHEMBL3248223
• Mol file: 1835-49-0.mol

Synonyms:tetrafluoroterephthalonitrile;TFTPN

Chemical Property of Tetrafluoroterephthalonitrile

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 0.0324mmHg at 25°C
• Melting Point: 197-199 °C
• Refractive Index: 1.474
• Boiling Point: 243.3 °C at 760 mmHg
• Flash Point: 100.9 °C
• PSA: 47.58000
• Density: 1.54 g/cm³
• LogP: 1.98636
• Storage Temp.: 2-8°C
• Solubility.: Soluble in hot methanol.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 199.99976066
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

98% ^*data from raw suppliers

Tetrafluoroterephthalonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36/37/38-20/21-23/24/25-36/37/39-20/21/22
• Safety Statements: 26-45-37/39-22-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
• Uses: Tetrafluoroterephthalonitrile can be used as a synthessi reagent primarily used to create polymers of intinsic microporosity. Tetrafluoroterephthalonitrile can be used in the synthesis of Polymers of Intrinsic Micro porosity (PIM). It is used to study ultraviolet (UV)-rearranged polymers of PIM-1 membranes for efficient separation of H2 and CO2.

Technology Process of Tetrafluoroterephthalonitrile

There total 14 articles about Tetrafluoroterephthalonitrile 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: 92.0%

2,3,5,6-tetrachloroterephthalonitrile (1897-41-2) → tetrafluoroterephthalonitrile (1835-49-0)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In N,N-dimethyl-formamide; at 140 ℃; for 6h;

DOI:10.1016/j.jfluchem.2003.11.017

Reference yield: 74.4%

potassium fluoride (7789-23-3) + 2,3,5,6-tetrachloroterephthalonitrile (1897-41-2) → tetrafluoroterephthalonitrile (1835-49-0)

Guidance literature:

heating to 300°C, 5 h;

Reference yield:

(Br2BNC(Br)C6F4CN)2 → tetrafluoroterephthalonitrile (1835-49-0) + boron tribromide (10294-33-4)

Guidance literature:

heating in high vac.;

upstream raw materials:

Pentafluorobenzonitrile

2,3,4,5,6-Pentafluoro-benzonitrile

1,4-(CONH₂)2-C₆F₄

1,4-dibromotetrafluorobenzene

Downstream raw materials:

2,3,5-Trifluoro-6-hexylamino-terephthalonitrile

2,3,5-Trifluoro-6-(4-hydroxy-phenylamino)-terephthalonitrile

2-Ethylamino-3,5,6-trifluoro-terephthalonitrile

2-Dipropylamino-3,5,6-trifluoro-terephthalonitrile