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1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 97% is a heterocyclic compound characterized by a pyrazole ring with a methyl group at the 1-position, a phenyl group at the 3-position, and a carboxylic acid group at the 4-position. 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97% is recognized for its high purity level of 97%, making it an ideal building block in the synthesis of pharmaceuticals and agrochemicals due to its aromatic nature and versatile reactivity. Its carboxylic acid derivative status is significant in organic synthesis and medicinal chemistry, allowing it to serve as a precursor for the preparation of various bioactive compounds.

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  • 105994-55-6 Structure
  • Basic information

    1. Product Name: 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%
    2. Synonyms: 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%;1-Methyl-3-phenyl-1H-pyrazole-4-carboxylic acid;4-BROMO-1-METHYL-3-PHENYL-1H-PYRAZOLE;1H-Pyrazole,4-bromo-1-methyl-3-phenyl-
    3. CAS NO:105994-55-6
    4. Molecular Formula: C10H9BrN2
    5. Molecular Weight: 237.1
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105994-55-6.mol
  • Chemical Properties

    1. Melting Point: 101.6℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%(105994-55-6)
    11. EPA Substance Registry System: 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%(105994-55-6)
  • Safety Data

    1. Hazard Codes:  Xi:Irritant;
    2. Statements: R36/37/38:Irritating to eyes, respiratory system and skin.;
    3. Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105994-55-6(Hazardous Substances Data)

105994-55-6 Usage

Uses

Used in Pharmaceutical Industry:
1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 97% is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic properties. Its unique structure allows for the creation of molecules that can interact with biological targets, leading to the discovery of novel treatments for various diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 97% is utilized as a starting material for the production of agrochemicals, such as pesticides and herbicides. Its reactivity and structural features enable the design of compounds that can effectively control, repel, or kill pests and unwanted plants, thereby enhancing crop protection and yield.
Used in Organic Synthesis:
As a carboxylic acid derivative, 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 97% is employed in organic synthesis for the preparation of a wide range of chemical compounds. Its functional groups facilitate various chemical reactions, making it a valuable component in the synthesis of complex organic molecules for research and industrial applications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, 97% is used as a research compound to explore its potential in the development of new pharmaceutical agents. Its structural attributes make it a promising candidate for the creation of bioactive molecules that can be further optimized for drug discovery and therapeutic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 105994-55-6 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, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 105994-55:
(8*1)+(7*0)+(6*5)+(5*9)+(4*9)+(3*4)+(2*5)+(1*5)=146
146 % 10 = 6
So 105994-55-6 is a valid CAS Registry Number.

105994-55-6SDS

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-3-phenylpyrazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1H-Pyrazole,4-bromo-1-methyl-3-phenyl

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:105994-55-6 SDS

105994-55-6Relevant articles and documents

NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF

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Paragraph 0899; 0900; 0901, (2015/11/30)

A compound represented by Formula [1] (in the formula, Z1 represents N, CH, or the like; X1 represents NH or the like; R1 represents a heteroaryl group or the like; each of R2, R3, and R4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R5 represents a heteroaryl group or the like) or salt thereof.

IMIDAZOPYRIDAZINE COMPOUNDS

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Page/Page column 181, (2008/06/13)

The present invention relates to novel substituted imidazo[1,2-b]pyridazine compounds of Formula (I): pharmaceutical compositions thereof, and the use such compounds as corticotropin releasing factor 1 (CRF1) receptor antagonists in the treatment of psychiatric disorders and neurological diseases.

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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