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1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is a chemical compound that belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. It is a derivative of pyrazole, a five-membered aromatic heterocycle composed of two nitrogen atoms and three carbon atoms in a cyclic structure. 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is characterized by the presence of a methyl group at the 1-position and a phenyl group at the 5-position, with a carboxylic acid group attached to the 4-position of the pyrazole ring.

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  • 105994-75-0 Structure
  • Basic information

    1. Product Name: 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
    2. Synonyms: BUTTPARK 98\18-87;1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;1-Methyl-5-phenyl-1H-pyrazol-4-carboxylic acid;1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid;1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid 97%;4-Carboxy-1-methyl-5-phenyl-1H-pyrazole;1-Methyl-5-phenyl-1H-pyrazole-4-carboxylicacid97%
    3. CAS NO:105994-75-0
    4. Molecular Formula: C11H10N2O2
    5. Molecular Weight: 202.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105994-75-0.mol
  • Chemical Properties

    1. Melting Point: 215-216
    2. Boiling Point: 367°C at 760 mmHg
    3. Flash Point: 175.8°C
    4. Appearance: /
    5. Density: 1.24g/cm3
    6. Vapor Pressure: 4.94E-06mmHg at 25°C
    7. Refractive Index: 1.617
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(105994-75-0)
    12. EPA Substance Registry System: 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(105994-75-0)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22-36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105994-75-0(Hazardous Substances Data)

105994-75-0 Usage

Uses

Used in Organic Chemistry Research:
1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is used as a building block for the synthesis of other organic molecules, contributing to the development of new chemical compounds with potential applications in various fields.
Used in Pharmaceutical Research:
1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is used as a potential lead compound for drug development, owing to its unique chemical structure and properties that may offer therapeutic benefits in the treatment of various diseases and conditions.
Used in Coordination Chemistry:
1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is used as a ligand, playing a crucial role in the formation of coordination compounds with metal ions. These complexes exhibit diverse properties and applications, such as catalysis, sensing, and materials science.
Used in Chemical Reactions:
1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is used as a reagent in chemical reactions for the formation of new carbon-carbon or carbon-nitrogen bonds. Its participation in these reactions can lead to the synthesis of novel compounds with potential applications in various industries, including pharmaceuticals, materials, and agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 105994-75-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,9,9 and 4 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 105994-75:
(8*1)+(7*0)+(6*5)+(5*9)+(4*9)+(3*4)+(2*7)+(1*5)=150
150 % 10 = 0
So 105994-75-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)

105994-75-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methyl-5-phenylpyrazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names methyl-5-phenyl-1H-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:105994-75-0 SDS

105994-75-0Relevant articles and documents

CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF

-

Paragraph 0578, (2018/04/17)

Disclosed herein are small molecule calpain modulator compositions, pharmaceutical compositions, the use and preparation thereof.

Benzoyl phenyl 1-methylpyrazoles. Synthesis, characterization, and spectra

Kano, Kunio,Scarpetti, David,Warner, John C.,Anselme, Jean-Pierre,Springer, James H.,Arison, Byron H.

, p. 2211 - 2219 (2007/10/02)

The synthesis and unequivocal characterization of all six isomers of benzoyl phenyl 1-methylpyrazole (2) are described.The isomer of 2 isolated as one of the products of the reaction of 1,1-dimethyl-1-phenacylhydrazinium bromide (1) with base was shown to be only previously reported isomer, 5-benzoyl-3-phenyl-1-methylpyrazole (2b).

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