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1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a specialized chemical compound that belongs to the class of organic compounds known as phenylpyrazoles. It consists of a pyrazole ring where one carbon is substituted with a phenyl group, another carbon carries a trifluoromethyl group, and the fourth carbon is attached with a carboxylic acid group. With the chemical formula C11H7F3N2O2, this chemical is characterized by the presence of relatively high electronegative fluorine atoms, which may significantly influence its chemical behavior. Its properties and behavior may vary, making it potentially useful in varied chemical applications.

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  • 98534-81-7 Structure
  • Basic information

    1. Product Name: 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
    2. Synonyms: BUTTPARK 36\06-05;5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;1-PHENYL-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID;1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID;SALOR-INT L251364-1EA;TIMTEC-BB SBB000949;1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL&;1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid 97%
    3. CAS NO:98534-81-7
    4. Molecular Formula: C11H7F3N2O2
    5. Molecular Weight: 256.18
    6. EINECS: 202-681-1
    7. Product Categories: Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
    8. Mol File: 98534-81-7.mol
  • Chemical Properties

    1. Melting Point: 134-138 °C(lit.)
    2. Boiling Point: 138.5°Cat760mmHg
    3. Flash Point: 47.2°C
    4. Appearance: /
    5. Density: 1.338g/cm3
    6. Vapor Pressure: 8.34mmHg at 25°C
    7. Refractive Index: 1.448
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 2.80±0.36(Predicted)
    11. CAS DataBase Reference: 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID(98534-81-7)
    13. EPA Substance Registry System: 1-PHENYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID(98534-81-7)
  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 21/22-36/37/38
    3. Safety Statements: 26-36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 98534-81-7(Hazardous Substances Data)

98534-81-7 Usage

Uses

Used in Pharmaceutical Industry:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is used as a precursor in the synthesis of other complex compounds for the development of new pharmaceuticals. Its unique structure and properties may contribute to the creation of novel drug candidates with potential therapeutic applications.
Used in Chemical Research:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is used as a research compound in chemical studies to understand its reactivity, stability, and potential interactions with other molecules. This knowledge can be applied to design new chemical processes or materials.
Used in Materials Science:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is used as a potential component in the development of new materials with specific properties, such as improved stability, reactivity, or other characteristics that can be beneficial in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 98534-81-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,5,3 and 4 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 98534-81:
(7*9)+(6*8)+(5*5)+(4*3)+(3*4)+(2*8)+(1*1)=177
177 % 10 = 7
So 98534-81-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

98534-81-7 Well-known Company Product Price

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  • Aldrich

  • (639761)  1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid  97%

  • 98534-81-7

  • 639761-1G

  • 900.90CNY

  • Detail

98534-81-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

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:98534-81-7 SDS

98534-81-7Relevant articles and documents

Luminescence and cytotoxic study of red emissive europium(III) complex as a cell dye

Canisares, Felipe S. M.,Cavalcante, Dalita G. S. M.,Job, Aldo E.,Lima, Sergio A. M.,Mutti, Alessandra M. G.,Pires, Ana M.

, (2021/10/16)

A novel non-toxic red luminescent Eu(III)-complex, (Na[Eu(Fmpc)4(H2O)4]?3H2O), based on a carboxylic acid ligand was synthesized and characterized by several techniques, such as elemental analysis, MALDI TOF spe

Synthesis, Biological Evaluation, and 3D-QSAR Studies of N-(Substituted pyridine-4-yl)-1-(substituted phenyl)-5-trifluoromethyl-1 H-pyrazole-4-carboxamide Derivatives as Potential Succinate Dehydrogenase Inhibitors

Wu, Zhibing,Park, Hyung-Yeon,Xie, Dewen,Yang, Jingxin,Hou, Shuaitao,Shahzad, Nasir,Kim, Chan Kyung,Yang, Song

, p. 1214 - 1223 (2021/02/06)

A series of new fungicides that can inhibit the succinate dehydrogenase (SDH) was classified and named as SDH inhibitors by the Fungicide Resistance Action Committee in 2009. To develop more potential SDH inhibitors, we designed and synthesized a novel se

Design, synthesis and insecticidal activities of novel 1-substituted-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives

Wu, Zhi-Bing,Zhou, Xiang,Ye, Yi-Qiang,Wang, Pei-Yi,Yang, Song

, p. 121 - 125 (2017/01/13)

A series of novel 5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives (6a–6n, 7a, 7b, and 8a-8f) were synthesised by placing the amide bond at the 4-position of the pyrazole ring. These derivatives differed from the structure of chlorantraniliprole analogues with the amide bond at the 5-position of the pyrazole ring. Preliminary bioassay results revealed that a few title compounds exhibited good insecticidal activities against lepidopteran pests, such as Plutella xylostella, Mythimna separate, Heliothis armigera, and Ostrinia nubilalis. Some title compounds also elicited broad-spectrum insecticidal activities against dipterous insects including Culex pipiens pallens after altering the amide position. Similar to pyrazole-5-carboxamide analogues, compounds 6b and 6e showed 100% insecticidal activity against P. xylostella, C. pipiens pallens, and M. separate at concentrations of 200, 2, and 200?μg/mL, respectively. This finding suggested that 5-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives are potential alternative insecticides for management of agriculture pests.

Method for synthesizing 1-substituted phenyl-5-trifluoromethyl (difluoromethyl)-4-pyrazole carboxylic acid

-

Paragraph 0037; 0038, (2018/01/11)

The invention relates to a method for synthesizing 1-substituted phenyl-5-trifluoromethyl (difluoromethyl)-4-pyrazole carboxylic acid. The method is as follows: performing a ring-forming reaction of phenylhydrazine or substituted phenylhydrazine with inte

Aromatic imide compounds and preparation method and application thereof

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Paragraph 0029, (2016/10/09)

The invention discloses aromatic imide derivatives with the chemical structure shown as the general formula (I) and a preparation method and anticancer activity thereof. R1 and R2 are defined in the specification. Part of the compounds have good anticance

Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages

-

Page/Page column 60, (2010/10/19)

Inhibitors of 15-hydroxyprostaglandin dehydrogenase (15-PGDH), for example tetrazole, styrylpyrazole, phenylfuran, phenylthiophene, phenylpyrrazole, pyrazolecarboxamide, 2-thioacetamide and azo compounds, are useful for promoting or stimulating pigmentati

Switchable reactivity: The site-selective functionalization of trifluoromethyl-substituted pyrazoles

Schlosser, Manfred,Volle, Jean-Noel,Leroux, Frederic,Schenk, Kurt

, p. 2913 - 2920 (2007/10/03)

Modern organometallic methods enable the regioflexible conversion of simple heterocyclic starting materials into families of isomers and congeners. Depending on the choice of the reagent, 1-methyl-5-(trifluoromethyl)pyrazole (1) undergoes deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Similarly, 1-phenyl-5-(trifluoromethyl)pyrazole (5) and 3-methyl-l-phenyl-5-(trifluoromethyl)pyrazole (8) are selectively attacked by lithium diisopropylamide at the heterocyclic 4-position and by butyllithium concomitantly at the 4-position and the ortho position of the phenyl ring. In contrast, metalation of 1-methyl-3-(trifluoromethyl)pyrazole (2) occurs only at the 5-position, whatever the organometallic or metal amide base. Further sites become accessible to functionalization if bromine is introduced into the heterocyclic or aromatic ring. This has been demonstrated with 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole (3), 4-bromo-l-methyl-3-(trifluoromethyl)pyrazole (4), 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole (7) and 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole (6). Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

FACILE SYNTHETIC METHODS FOR 3- AND 5-TRIFLUOROMETHYL-4-TRIFLUOROACETYLPYRAZOLES AND THEIR CONVERSION INTO PYRAZOLE-4-CARBOXYLIC ACIDS

Okada, Etsuji,Masuda, Ryoichi,Hojo, Masaru

, p. 791 - 798 (2007/10/02)

3- and 5-Trifluoromethyl-4-trifluoroacetylpyrazoles (4 and 5) were easily synthesized in excellent yields by reaction of β,β-bis(trifluoroacetyl)vinyl ethers 1, sulfides 2, and -amines 3 with hydrazines.Hydrolysis of these compounds (4 and 5) with aqueous potassium hydroxide gave the corresponding pyrazole-4-carboxylic acids (6 and 7) in high yields.

Synthesis of 1-Aryl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic Acids and Esters

Beck, James R.,Wright, Fred L.

, p. 739 - 740 (2007/10/02)

Ethyl 1-aryl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylates 2 were prepared by the condensation of arylhydrazines with ethyl 3-ethoxy-2-(trifluoroacetyl)-2-propenoate (1a) at low temperature.The corresponding acids were also synthesized.X-ray diffraction analysis of an amide derivative 4 verified the position of the trifluoromethyl group on the pyrazole ring.

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