Cas no 84547-84-2 (4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid)

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical research. Its bromine substituent enhances reactivity for further functionalization, making it valuable in cross-coupling reactions and nucleophilic substitutions. The carboxylic acid group allows for derivatization into esters, amides, or other derivatives, expanding its utility in medicinal chemistry. The methyl group at the 1-position improves stability while maintaining compatibility with diverse synthetic pathways. This compound is particularly useful in the development of biologically active molecules, serving as a key intermediate in the synthesis of potential drug candidates and specialty chemicals. Its well-defined structure ensures consistent performance in complex organic transformations.
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid structure
84547-84-2 structure
Product Name:4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:84547-84-2
MF:C5H5BrN2O2
MW:205.009400129318
MDL:MFCD00463982
CID:720453
PubChem ID:673686
Update Time:2025-11-06

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
    • 1H-Pyrazole-5-carboxylicacid, 4-bromo-1-methyl-
    • 4-bromo-1-methylpyrazole-3-carboxy acid
    • 4-BROMO-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
    • 4-Brom-2-methyl-2H-pyrazol-3-carbonsaeure
    • 4-bromo-1-methylpyrazole-5-carboxylic acid
    • 4-BroMo-2-Methylpyrazole-3-carboxylic acid
    • N-methyl-4-bromopyrazole-3-carboxylic acid
    • N-methyl-4-bromopyrazole-5-carboxylic acid
    • 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-
    • YXIJCAVZGBGUKM-UHFFFAOYSA-N
    • TimTec1_000450
    • zlchem 596
    • PubChem19973
    • 1H-Pyrazole-5-carboxylicacid,4-bromo-1-methyl-
    • MLS000685520
    • ZLD0043
    • HMS1535E10
    • HMS2618K16
    • 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (ACI)
    • Pyrazole-5-carboxylic acid, 4-bromo-1-methyl- (6CI)
    • 1-Methyl-4-bromopyrazole-5-carboxylic acid
    • 4-Bromopyrazole-1-methyl-5-carboxylic acid
    • AC-30766
    • MFCD00463982
    • FS-1380
    • DB-076068
    • AKOS000304116
    • 84547-84-2
    • 4-bromo-1-methyl-1H-pyrazole-5-carboxylicacid
    • SB12354
    • STK315913
    • CCG-104790
    • SCHEMBL1357879
    • F0405-1926
    • SY032206
    • CHEMBL1899934
    • ALBB-004720
    • SMR000312484
    • CS-W000415
    • DTXSID00350097
    • Z275170410
    • SR-01000407657-1
    • EN300-83463
    • SR-01000407657
    • DB-017770
    • MDL: MFCD00463982
    • Inchi: 1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
    • InChI Key: YXIJCAVZGBGUKM-UHFFFAOYSA-N
    • SMILES: O=C(C1N(C)N=CC=1Br)O

Computed Properties

  • Exact Mass: 203.95300
  • Monoisotopic Mass: 203.95344 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.1
  • Molecular Weight: 205.01
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.93±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 235-236 oC
  • Boiling Point: 347.4°C at 760 mmHg
  • Flash Point: 163.9 °C
  • Solubility: Slightly soluble (2.7 g/l) (25 o C),
  • PSA: 55.12000
  • LogP: 0.88080

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Security Information

  • Hazard Statement: H302-H315-H319-H335
  • HazardClass:IRRITANT
  • Storage Condition:Sealed in dry,2-8°C

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)
2.1 Reagents: Bromine
Reference
Dimethylpyrazole-based syntheses. V. Nitration of 4-halopyrazole-3- and 5-carboxylic acids
Manaev, Yu. A.; et al, Zhurnal Obshchei Khimii, 1982, 52(11), 2592-8

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium bromide Solvents: Chloroform ,  Water ;  30 °C
Reference
The Reactivity Trends in Electrochemical Chlorination and Bromination of N-Substituted and N-Unsubstituted Pyrazoles*
Lyalin, B. V.; et al, Chemistry of Heterocyclic Compounds (New York, 2014, 49(11), 1599-1610

Production Method 3

Reaction Conditions
1.1 Reagents: Bromine
Reference
Dimethylpyrazole-based syntheses. V. Nitration of 4-halopyrazole-3- and 5-carboxylic acids
Manaev, Yu. A.; et al, Zhurnal Obshchei Khimii, 1982, 52(11), 2592-8

Production Method 4

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)
Reference
Dimethylpyrazole-based syntheses. V. Nitration of 4-halopyrazole-3- and 5-carboxylic acids
Manaev, Yu. A.; et al, Zhurnal Obshchei Khimii, 1982, 52(11), 2592-8

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Raw materials

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Preparation Products

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:84547-84-2)4-bromo-1-methylpyrazole-5-carboxylic acid
Order Number:sfd4691
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

Additional information on 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

Comprehensive Overview of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 84547-84-2)

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 84547-84-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated pyrazole derivative is widely recognized for its role as a key intermediate in the synthesis of bioactive molecules. Researchers and industry professionals frequently search for 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid suppliers, synthesis methods, and applications in drug discovery, making it a compound of high relevance in modern chemistry.

The molecular structure of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid features a pyrazole ring substituted with a bromine atom at the 4-position and a carboxylic acid group at the 5-position. This unique arrangement contributes to its reactivity and utility in various chemical transformations. The compound's CAS number 84547-84-2 serves as a critical identifier in chemical databases, ensuring accurate referencing in scientific literature and regulatory documents.

In recent years, the demand for pyrazole-based compounds has surged due to their diverse pharmacological properties. 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid is particularly valuable in the development of kinase inhibitors, which are pivotal in targeted cancer therapies. This aligns with current trends in precision medicine and personalized treatment approaches, topics that dominate discussions in medical research circles.

The compound's applications extend beyond pharmaceuticals. In agrochemical research, 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid serves as a building block for novel pesticides and herbicides. With increasing global focus on sustainable agriculture and crop protection solutions, this compound has become a subject of intense study. Researchers often investigate its potential in creating environmentally friendly alternatives to traditional agrochemicals.

From a synthetic chemistry perspective, 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid offers multiple reactive sites for further functionalization. The bromine atom facilitates various cross-coupling reactions, while the carboxylic acid group enables condensation and esterification processes. These characteristics make it a versatile intermediate in organic synthesis, particularly in the construction of complex heterocyclic systems.

Quality control and characterization of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid typically involve advanced analytical techniques. High-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry are commonly employed to verify purity and structural integrity. These analytical methods are crucial for ensuring the compound meets the stringent requirements of pharmaceutical applications.

The market for 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid has shown steady growth, driven by increasing research activities in medicinal chemistry. Suppliers and manufacturers are expanding their production capacities to meet the rising demand from academic institutions and pharmaceutical companies. Current market analyses indicate particular interest from regions with strong biotechnology sectors, including North America, Europe, and parts of Asia.

Storage and handling of 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid require standard laboratory precautions. The compound should be kept in a cool, dry environment, protected from light and moisture. While not classified as hazardous under normal conditions, proper personal protective equipment is recommended when working with this chemical, in line with general laboratory safety protocols.

Future research directions for 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid may explore its potential in emerging therapeutic areas. With growing interest in small molecule therapeutics and targeted drug delivery systems, this compound could play a significant role in developing next-generation pharmaceuticals. Additionally, its application in materials science, particularly in the design of functional organic materials, represents an exciting avenue for investigation.

For researchers seeking 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid CAS 84547-84-2, it's essential to source the compound from reputable suppliers who provide comprehensive analytical data. The quality of the starting material can significantly impact the outcomes of synthetic pathways and subsequent biological testing. Many suppliers now offer custom synthesis services and bulk quantities to accommodate diverse research needs.

In conclusion, 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid represents an important building block in modern chemical research. Its versatility in pharmaceutical and agrochemical applications, combined with its synthetic accessibility, ensures its continued relevance in scientific investigations. As research trends evolve toward more targeted and sustainable solutions, this compound is likely to maintain its position as a valuable tool for chemists and researchers worldwide.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:84547-84-2)4-bromo-1-methylpyrazole-5-carboxylic acid
sfd4691
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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