Cas no 84547-85-3 (4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid)

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid is a heterocyclic compound featuring a pyrazole core substituted with a chloro group at the 4-position and a carboxylic acid moiety at the 3-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive carboxylic acid group allows for further functionalization, while the chloro substituent enhances its utility in cross-coupling reactions. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined chemical properties make it suitable for use in medicinal chemistry research, where precise structural modifications are often required.
4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid structure
84547-85-3 structure
Product Name:4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:84547-85-3
MF:C5H5ClN2O2
MW:160.558399915695
MDL:MFCD01821187
CID:60723
PubChem ID:594685
Update Time:2025-06-07

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
    • 4-chloro-1-methylpyrazole-3-carboxylic acid
    • 4-Chloro-1-methyl-1H-pyrazole-3-carboxylicacid
    • 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid (ACI)
    • 4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid #
    • FS-1382
    • AKOS000304133
    • EN300-83469
    • 1H-Pyrazole-3-carboxylic acid, 4-chloro-1-methyl-
    • F2169-0551
    • DTXSID10344144
    • Q-102371
    • AC-6340
    • 4-Chloro-1-methyl-pyrazole-3-carboxylic acid
    • DB-241604
    • CS-0137702
    • STK292394
    • Z275169940
    • MFCD01821187
    • 84547-85-3
    • DTXCID20295219
    • SY030208
    • SCHEMBL982875
    • DB-012312
    • ALBB-000015
    • MDL： MFCD01821187
    • Inchi： 1S/C5H5ClN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)
    • InChI Key： BZFXEYAWDBWTSY-UHFFFAOYSA-N
    • SMILES： O=C(C1C(Cl)=CN(C)N=1)O

Computed Properties

  • Exact Mass: 160.00400
  • Monoisotopic Mass: 160.004
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • 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: 55.1A^2
  • Molecular Weight: 160.56
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.56
  • Boiling Point: 327°C at 760 mmHg
  • Flash Point: 151.6°C
  • Refractive Index: 1.62
  • PSA: 55.12000
  • LogP: 0.77170

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Security Information

4-Chloro-1-methyl-1H-pyrazole-3-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-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium chloride Solvents: Water ;  15 °C
Reference
Electrosynthesis of 4-chloropyrazolecarboxylic acids
Lyalin, B. V.; et al, Russian Chemical Bulletin, 2010, 58(2), 291-296

Production Method 2

Reaction Conditions
1.1 Reagents: Chlorine
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 3

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

Production Method 4

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1)
2.1 Reagents: Chlorine
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-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Raw materials

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Preparation Products

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:84547-85-3)4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
Order Number:A10153
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:17
Price ($):256.0

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Amadis Chemical Company Limited
(CAS:84547-85-3)4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid
A10153
Purity:99%
Quantity:5g
Price ($):256.0
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