Tetrafluorophthalonitrile - ≥98%(GC) , CAS No.1835-65-0

CAS: 1835-65-0 Cat. No.: T161637 Molecular Weight: 200.1 EC Number: 217-400-8 PubChem CID: 74600

GRADE & PURITY ≥98%(GC)

Synonyms

T1402 | Tetrafluorophthalonitrile, 95% | 3-Chloro-benzoic acid methyl ester | AC-9845 | 3, 4, 5, 6-Tetrafluorophthalonitrile | AKOS015853132 | A22160 | InChI=1/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)1 | UNII-F7C0V01SK6 | DTXSID6075142 | 3,4,5,6-Tetrafluo

Storage

Room temperature

Shipped In

Normal

Overview

Tetrafluorophthalonitrile reacts with: ? copper, copper (I) chloride or copper (II) chloride to yield copper (II) hexadecafluorophthalocyanine ? potassium salt of 2-hydroxyhexafluoro-2-propylbenzene to yield 2-phenyl-2-(3,4-dicyano- trifluorophenoxy) hexafluoropropane ? dipotassium salt of 1,3-bis(2-hdroxyhexafluoro-2- propyl) benzene to yield fluorinated phthalonitrile resins
Tetrafluorophthalonitrile was used in the synthesis of dichloro-subphthalocyanine dimers.

Specifications

Synonyms

T1402 | Tetrafluorophthalonitrile, 95% | 3-Chloro-benzoic acid methyl ester | AC-9845 | 3, 4, 5, 6-Tetrafluorophthalonitrile | AKOS015853132 | A22160 | InChI=1/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)1 | UNII-F7C0V01SK6 | DTXSID6075142 | 3, 4, 5, 6-Tetrafluo

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754834
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754834
• Canonical Smiles: C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N
• IUPAC Name: 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile
• InChIKey: OFLRJMBSWDXSPG-UHFFFAOYSA-N
• INCHI: 1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
• Isomeric SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N
• WGK Germany: 3
• PubChem CID: 74600
• UN Number: 3439
• Packing Group: III
• Molecular Weight: 200.1
• Reaxy-Rn: 1978295

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol,Acetone,Ethanol
• Melt Point(°C): 87 °C
• Molecular Weight: 200.090 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 200 Da
• Monoisotopic Mass: 200 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jingyi Wang, Wenmin Zhang, Hui Chen, Qingqing Ding, Jinhua Xu, Qidong Yu, Min Fang, Lan Zhang.  (2023)  Piperazine-linked metal covalent organic framework-coated fibers for efficient electro-enhanced solid-phase microextraction of chlorophenols.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36758492] [10.1016/j.chroma.2023.463847]

2. Ze Fang, Nan Li, Zhiguo Zhao, Zhexin Zhu, Wangyang Lu, Fengtao Chen, Junjie Wang, Wenxing Chen.  (2021)  Bio-inspired strategy to enhance catalytic oxidative desulfurization by O-bridged diiron perfluorophthalocyanine axially coordinated with 4-mercaptopyridine.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133569]

3. Junyi Zhao, Siwei Wang, Fusheng Pan, Han Zhang, Sui Zhang, Zhongyi Jiang.  (2024)  Leaf-inspired hybrid membrane assembled by covalent organic framework and cellulose nanocrystals for efficient desalination.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122760]

4. Dong Zong-Mu, Qin Liming, Guo Yaqing, Xu Miaoqing, Wu Jian-Feng, Zhao Guang-Chao.  (2025)  Highly stable benzonitrile functionalized covalent organic framework coating for solid-phase microextraction of hydroxyphenyl esters in complex matrix samples.  MICROCHIMICA ACTA,  192  (8): (1-12).  [PMID:40739459] [10.1007/s00604-025-07419-z]

5. Li Shuzhen, Xing Menghao, Xu Xifan, Hu Wenjing, Zhou Hang, Cao Xiaoyu.  (2026)  Dynamic photochromism in cocrystals and tri-state fluorescence switching in films for multilevel optical encryption.  Nature Communications,      [PMID:41667497] [10.1038/s41467-026-69434-9]