422-04-8

Basic information

• Product Name: PENTAFLUOROPROPIONITRILE
• Synonyms: CF3CF2CN;pentafluoro-propanenitril;Propanenitrile, pentafluoro-;PENTAFLUOROPROPIONITRILE;pentafluoropropiononitrile;PENTAFLUOROPROPIONITRILE 97%;Pentafluoropropionitrile97%;2,2,3,3,3-Pentafluoropropionitrile
• CAS NO: 422-04-8
• Molecular Formula: C₃F₅N
• Molecular Weight: 145.03
• EINECS: 207-011-1
• Mol File: 422-04-8.mol
• Article Data: 12

Chemical Properties

• Boiling Point: -35°C
• Appearance: /
• Density: 1.468g/cm³
• Vapor Pressure: 2540mmHg at 25°C
• Refractive Index: 1.267
• CAS DataBase Reference: PENTAFLUOROPROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: PENTAFLUOROPROPIONITRILE(422-04-8)
• EPA Substance Registry System: PENTAFLUOROPROPIONITRILE(422-04-8)

Safety Data

• Hazard Codes: T
• Statements: 23/24
• Safety Statements: 9-23-36/37-45
• RIDADR: 3162
• Hazardous Substances Data: 422-04-8(Hazardous Substances Data)

Usage

General Description

Pentafluoropropionitrile, also known as 1,1,1,2,3-Pentafluoropropionitrile, is a colorless liquid chemical compound with the molecular formula C3F5CN. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Pentafluoropropionitrile is highly valued for its ability to introduce fluorine atoms into organic molecules, which can enhance their chemical and biological properties. It is also used as a solvent in various chemical processes and as a reagent in organic synthesis. Additionally, this compound is considered to have low toxicity and is not known to be harmful to the environment.

InChI:InChI=1/C3F5N/c4-2(5,1-9)3(6,7)8

Upstream product

• 354-76-7 2,2,3,3,3-pentafluoropropionamide 
• 1584-03-8 perfluoro-2-methylpent-2-ene 
• 378-00-7 difluoromethylene-heptafluoropropyl-amine 
• 7732-18-5 water 
• 422-61-7 perfluoropropanoyl fluoride 
• 6108-85-6 Tris-heptafluorpropyl-hydroxylamin 
• 354-64-3 Pentafluoroethyl iodide 
• 506-77-4 cyanogen chloride 
• 422-59-3 2,2,3,3,3-pentafluoropropionyl chloride 
• 124044-31-1 sodium 5-(pentafluoroethyl)tetrazolate 
• 118949-58-9 sodium (difluoroamino)difluoromethyltetrazolate 
• 105579-92-8 C₂F₅CF₂NH₂ 
• 87050-99-5 5-(pentafluoroethyl)-1,3,2,4-dioxathiazole 2-oxide 

Downstream Products

• 378-72-3 1,1,1,2,2-pentafluoropentan-3-one 
• 850582-44-4 (3E)-3-perfluoroethyl-1,1,1,4-tetraphenyl-2-aza-1λ⁵-phosphabuta-1,3-diene 
• 13709-36-9 xenon difluoride 
• 112144-30-6 C₂F₅CNXeF⁽¹⁺⁾ 
• 1186042-55-6 (Z)-3-amino-1-(4-chlorophenyl)-4,4,5,5,5-pentafluoropent-2-en-1-one 
• 212051-23-5 3,4-dimethoxybenzyl 2,2,3,3,3-pentafluoropropionimidate 
• 75-73-0 carbon tetrafluoride 
• 76-19-7 freon-218 
• 76-16-4 Hexafluoroethane 
• 423-32-5 N,N-Difluor-heptafluor-n-propylamin 
• 4454-51-7 N²-Phenyl-pentafluorpropionhydrazidin 
• 679-25-4 N'-
• 664-09-5 Pentafluor-thiopropionsaeure-imino-S-methylester 
• 858-46-8 tris(perfluoroethyl)-s-triazine 

Relevant articles and documents

Method for preparing perfluorinated nitrile through gas phase catalysis

The invention discloses a method for preparing perfluorinated nitrile through gas phase catalysis. The method comprises the following steps: a, in the absence of a catalyst, enabling acyl fluoride R1COF or perfluor substituted ethylene oxide Cyclo-CF2-CR2R3-O- to perform a gas phase amination reaction with an ammonia gas or a primary amine compound, to obtain amide of which a general formula is R1CONH2 or CR2R3FCONH2, wherein general formulas of R1, R2 and R3 are CnF[2n+1], CxF[2x+1], and CyF[2y+1], wherein x and y are non-negative integer sets, x+y=n, and n is a positive integer set; and b, in the presence of the catalyst, dehydrating the amide R1CONH2, to obtain the perfluorinated nitrile R1CN. The method is short in reaction route, and the perfluor substituted ethylene oxide or the acylfluoride is easily obtained. A total yield of the perfluorinated nitrile is high, and the route is easy for continuous industrialization.

Process For Preparing Fluoroalkyl Nitriles

The present invention relates to a process for preparing fluoroalkyl nitriles by reacting fluorinated carboxamides with halides and fluorinated carboxylic acids.

Synthesis and characterization of perfluorinated nitriles and the corresponding sodium 5-perfluoroalkyltetrazolate salts

The high-yield syntheses of trifluoroacetonitrile (1a), pentafluoropropionitrile (1b) and heptafluorobutyronitrile (1c) under mild reaction conditions using readily available starting materials (trifluoroacetamide, pentafluoropropionamide, heptafluorobutanamide) are described. Furthermore, the reactions of the perfluoroalkyl nitriles with sodium azide in acetonitrile forming sodium 5-trifluoromethyltetrazolate (2a), sodium 5-pentafluoroethyltetrazolate (2b) and sodium 5-heptafluoropropyltetrazolate (2c) were undertaken. The 5-perfluoroalkyltetrazolate salts were characterized using vibrational (Raman and infrared) and multinuclear (13C, 14/15N, 19F) NMR spectroscopy, differential scanning calorimetry, mass spectrometry and elemental analysis. Additionally, the single crystal X-ray structure of the monohydrate of 2a was determined. Crystal data: 2a·H2O: monoclinic, C2/m, a = 18.8588(6) A?, b = 7.1857(2) A?, c = 9.3731(3) A?, β = 102.938(3)°, V = 1237.94(7) A?3, Z = 8, Dcalc = 1.911 g cm-3.