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PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH. is a chemical compound with the molecular formula C3HF5O, characterized by its colorless appearance and high reactivity. It serves as a crucial intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds, making it a significant component in the chemical industry.
Used in Pharmaceutical Industry:
PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH. is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique properties and reactivity enable the development of new drugs and contribute to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH. is utilized as an intermediate in the production of agrochemicals. Its role in creating effective and innovative products highlights its importance in agriculture and pest control.
Used in Organic Compounds Synthesis:
PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH. is also used as an intermediate in the synthesis of other organic compounds. Its versatility and reactivity make it a valuable asset in the creation of a wide range of chemical products.
Safety Precautions:
When working with PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH., it is essential to follow strict safety guidelines. This includes wearing appropriate protective gear, such as gloves, goggles, and lab coats, to minimize the risk of exposure. Additionally, it should be used in a well-ventilated area to prevent the buildup of hazardous vapors.
Storage and Transportation:
To ensure the safe handling of PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH., it is crucial to store and transport the chemical in a secure and controlled manner. This helps prevent accidental release or contamination, which could have serious environmental and health consequences. Proper labeling and adherence to transportation regulations are also necessary to maintain safety throughout the supply chain.

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  • 422-06-0 Structure
  • Basic information

    1. Product Name: PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH.
    2. Synonyms: 2,2,3,3,3-Pentafluoropropanal;Pentafluoropropionaldehyde;Perfluoropropionaldehyde;Propionaldehyde, pentafluoro-;PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH.;Pentafluoropropanal hydrate;Pentafluoropropionaldehydehydrate,tech.90%;2,2,3,3,3-Pentafluoropropionaldehyde
    3. CAS NO:422-06-0
    4. Molecular Formula: C3HF5O
    5. Molecular Weight: 166.046736
    6. EINECS: 207-013-2
    7. Product Categories: N/A
    8. Mol File: 422-06-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 96-98°C
    3. Flash Point: °C
    4. Appearance: /
    5. Density: g/cm3
    6. Vapor Pressure: 3350mmHg at 25°C
    7. Refractive Index: 1.322
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH.(CAS DataBase Reference)
    11. NIST Chemistry Reference: PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH.(422-06-0)
    12. EPA Substance Registry System: PENTAFLUOROPROPIONALDEHYDE HYDRATE, TECH.(422-06-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 422-06-0(Hazardous Substances Data)

422-06-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 422-06-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,2 and 2 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 422-06:
(5*4)+(4*2)+(3*2)+(2*0)+(1*6)=40
40 % 10 = 0
So 422-06-0 is a valid CAS Registry Number.
InChI:InChI=1/C3HF5O.H2O/c4-2(5,1-9)3(6,7)8;/h1H;1H2

422-06-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,3,3,3-pentafluoropropanal

1.2 Other means of identification

Product number -
Other names Perfluoropropanal hydrate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:422-06-0 SDS

422-06-0Relevant articles and documents

Novel Fire Retardant Compounds

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Paragraph 0057, (2017/01/19)

Compounds with fire extinguishing properties having the formula: wherein R1 is —CR5R6R7 or —CR5R6CR8R9R10 as well as fire extinguishing units including one or more of the compounds.

HYDROFLUOROACETAL COMPOUND, MANUFACTURING METHOD AND USE THEREOF

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Paragraph 0047, (2016/10/08)

PROBLEM TO BE SOLVED: To provide a novel hydrofluoroacetal compound. SOLUTION: There is provided a compound according to the formula [I] of Rf1[CH(-O-CH(3-m)Rf2m)(-O-CF2-CFH-Rf3)]n, where n is 1 or 2, m is 1, 2 or 3, Rf1 is optionally substituted and selected from the group consisting of highly fluorinated alkyl groups which are linear, branched, cyclic or combination thereof, which may optionally contain a hetero atom bound to one or more chain when n is 1; Rf1 is optionally substituted and selected from the group consisting of highly fluorinated alkylene groups which are linear, branched, cyclic or combination thereof, which may optionally contain a hetero atom bound to one or more chain when n is 2; each Rf2 is independently optionally substituted and selected from the group consisting of alkyl groups which are linear, branched, cyclic or combination thereof, which may optionally contain a hetero atom bound to one or more chain; at least one of Rf2 is highly fluorinated; and each Rf3 is selected from the group consisting of fluorine and a highly fluorinated alkyl groups which are linear, branched, cyclic or combination thereof, which may optionally contain a hetero atom bound to one or more chain. COPYRIGHT: (C)2015,JPOandINPIT

Atmospheric chemistry of CF3CF2CHO: Absorption cross sections in the UV and IR regions, photolysis at 308 nm, and gas-phase reaction with OH radicals (T = 263-358 K)

Antinolo, Maria,Jimenez, Elena,Gonzalez, Sergio,Albaladejo, Jose

, p. 178 - 186 (2014/02/14)

The relative importance in the atmosphere of UV photolysis of perfluoropropionaldehyde, CF3CF2CHO, and reaction with hydroxyl (OH) radicals has been investigated in this work. First, the forbidden n → π* transition of the carbonyl chromophore was characterized between 230 and 380 nm as a function of temperature (269-298 K) and UV absorption cross sections, σλ, were determined in those ranges. In addition, IR absorption cross sections were determined between 4000 and 500 cm-1. Pulsed laser photolysis (PLP) of CF3CF 2CHO coupled to Fourier transform infrared (FTIR) was employed to determine the overall photolysis quantum yield, Φλ, at 308 nm and 298 K. Φλ=308 nm was pressure dependent, ranging from (0.94 ± 0.14) at 75 Torr to (0.30 ± 0.01) at 760 Torr. This dependence is characterized by the Stern-Volmer parameters Φλ=308 nm0 = (1.19 ± 0.34) and KSV = (1.22 ± 0.52) × 10-19 cm3 molecule-1. End products of the photodissociation of CF3CF2CHO were measured and quantified by FTIR spectroscopy. Furthermore, the rate coefficients for the OH + CF3CF2CHO reaction, k1, were determined as a function of temperature (T = 263-358 K) by PLP-LIF. At room temperature the rate coefficient is k1(T = 298 K) = (5.57 ± 0.07) × 10 -13 cm3 molecule-1 s-1, whereas the temperature dependence is described by k1(T) = (2.56 ± 0.32) × 10-12 exp{-(458 ± 36)/T} cm3 molecule -1 s-1. On the basis of our results, photolysis of CF 3CF2CHO in the actinic region could be an important removal process for CF3CF2CHO in the atmosphere. The formation of the primary products in the UV photolysis of CF3CF 2CHO is also discussed.

Atmospheric chemistry of fluorinated alcohols: Reaction with Cl atoms and OH radicals and atmospheric lifetimes

Hurley,Wallington,Sulbaek Andersen,Ellis,Martin,Mabury

, p. 1973 - 1979 (2007/10/03)

Relative rate techniques were used to study the kinetics of the reactions of Cl atoms and OH radicals with a series of fluorinated alcohols, F(CF2)nCH2OH (n = 1-4), in 700 Torr of N2 or air diluent at 296 ± 2 K. The length of the F(CF2)n group had no discernible impact on the reactivity of the molecule. For n = 1-4, k(Cl + F(CF2)nCH2OH) = (6.48 ± 0.53) × 10-13 and k(OH + F(CF2)nCH2OH) = (1.02 ± 0.10) × 10-13 cm3 molecule-1 s-1. Product studies of the chlorine initiated oxidation of F(CF2)nCH2OH (n = 1-4) in the absence of NO show the sole primary product to be the corresponding aldehyde, F(CF2)nC(O)H. Consideration of the likely rates of other possible atmospheric loss mechanisms leads to the conclusion that the atmospheric lifetime of F(CF2)nCH2OH (n ≥ 1) is determined by reaction with OH radicals and is approximately 164 days.

Gas phase UV and IR absorption spectra of CxF2x+1CHO (x = 1-4)

Hashikawa,Kawasaki,Waterland,Hurley,Ball,Wallington,Andersen, M.P. Sulbaek,Nielsen

, p. 1925 - 1932 (2007/10/03)

The UV and IR spectra of CxF2x +1CHO (x = 1-4) were investigated using computational and experimental techniques. CxF2x+1CHO (x = 1-4) have broad UV absorption features centered at 300-310 nm. The maximum absorption cross-section increases significantly and shifts slightly to the red with increased length of the CxF2x+1 group: CF3CHO, 3.10 × 10-20 (300 nm); C 2F5CHO, 6.25 × 10-20 (308 nm); C 3F7CHO, 8.96 × 10-20 (309 nm); and C 4F9CHO, 10.9 × 10-20 (309 nm). IR spectra for CxF2x+1CHO were recorded, calculated, and assigned. Results are discussed with respect to the literature data and to the atmospheric fate of CxF2x+1CHO.

Atmospheric chemistry of C2F5CHO: reaction with Cl atoms and OH radicals, IR spectrum of C2F5C(O)O2NO2

Andersen, M. P. Sulbaek,Hurley, M. D.,Wallington, T. J.,Ball, J. C.,Martin, J. W.,Ellis, D. A.,Mabury, S. A.,Nielsen, O. J.

, p. 28 - 36 (2007/10/03)

Smog chamber/FTIR techniques were used to measure k(Cl + C2F5CHO) = (1.96+/-0.28) x 10-12 and k(OH + C2F5CHO) = (5.26+/-0.80) x 10-13 cm3 molecule-1 s-1 in 700 Torr of N2 or air at 296+/-2 K. The Cl i

Aminal Diones as potassium channel openers

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, (2008/06/13)

Compounds of formula (I) 1may be useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

Synthesis of phenyl and ester substituted vinyl fluorides via reduction and olefination of esters

Tsai, Hou-Jen,Burton, Donald J.

, p. 135 - 145 (2007/10/03)

A reduction-olefination sequence has been used to convert ethyl pentafluoropropanoate 6 to 1-fluoro-1-phenyl-2-pentafluoroethyl ethene 7 and ethyl 2,4,4,5,5,5-hexafluoro-2-pentenoate 8. Addition of lithium diethyl α-fluorobenzylphosphonate [(EtO)2P(O)CFPh]- Li+ 4 or lithium fluorocarboethoxymethylene dialkylphosphonate [(RO)2P(O)CFCO2Et]- Li+ 5 (R = Et, i-Pr) to a THF solution of fluorinated aldehydes prepared in situ from 6 and diisobutylaluminum hydride (DIBAL) affords the vinyl fluorides C2F5CH=CFPh 7 and C2F5CH=CFCO2Et 8 in good yields. However, yields of the final products 7 and 8 are low when in situ reduction of 6 to aldehyde was performed in the presence of lithium salts of 4 or 5.

A novel synthesis of per(poly)fluoroalkyl aldehydes

Hu, Chang-Ming,Tang, Xiao-Qing

, p. 217 - 222 (2007/10/02)

A novel synthesis of per(poly)fluoroalkyl aldehydes in high yield by the reaction of per(poly)fluoroalkyl iodides or bromides with dimethylformamide initiated by a PbBr2(catalyst)/Al bimetal redox system is described.

Fluorine Substituent Effects on Alkoxide Chemistry and Orientation on the Cu(100) Surface

Dai, Qing,Gellman, Andrew J.

, p. 10783 - 10789 (2007/10/02)

The straight chain hydrocarbon alcohols (CH3(CH2)nOH, n = 0-4) and fluorocarbon alcohols (CF3(CF2)nCH2OH, n = 0-2) all adsorb reversibly on the clean Cu(100) surface.As the alkyl chain is lengthened, the heats of adsorption of the hydrocarbon alcohols are incremented by 1.2 kcal/mol per CH2 group while the heats of adsorption of the fluorinated alcohols are incremented by 0.7 kcal/mol per CF2 group.On the preoxidized Cu(100) surface the alcohols are all deprotonated to form alkoxides.The intensity of the νCO mode in the HREEL spectra suggests that the C-O bond lies along the surface normal in methoxide and the propoxides but is ted toward the surface in ethoxides, butoxides, and pentoxide.During heating the alkoxides decompose by β-hydride elimination to yield aldehydes.Fluorination of the alkyl chain in the Γ-position has a dramatic influence on the reaction kinetics, resulting in an increase in the β-hydride elimination barrier from 26 kcal/mol in hydrocarbon alkoxides to 42 kcal/mol in the fluorinated alkoxides.This is consistent with a description of the transition state in which charge separation is of the form Cβδ+Hδ- and the influence of the fluoroalkyl group is to energetically destabilize the cationic β-carbon in the transition state.

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