Cas no 374913-86-7 (2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid)

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid is a pyrazole derivative characterized by its chloro and dimethyl substituents, which enhance its reactivity and stability in synthetic applications. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and agrochemicals. Its acetic acid moiety allows for further functionalization, enabling the development of tailored derivatives for pharmaceutical or material science research. The presence of electron-withdrawing and sterically hindered groups contributes to its selective reactivity, making it valuable for controlled chemical transformations. Suitable for use under standard laboratory conditions, it offers consistent performance in coupling reactions and as a building block for complex molecular architectures.
2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid structure
374913-86-7 structure
Product Name:2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CAS No:374913-86-7
MF:C7H9ClN2O2
MW:188.611560583115
MDL:MFCD01114908
CID:298061
PubChem ID:919266
Update Time:2025-10-18

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
    • (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
    • (4-Chloro-3,5-dimethyl-pyrazol-1-yl)-acetic acid
    • 1H-Pyrazole-1-aceticacid, 4-chloro-3,5-dimethyl-
    • 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid
    • 2-(4-chloro-3,5-dimethylpyrazolyl)acetic acid
    • SCHEMBL111808
    • PSXIFNAQYKUAOF-UHFFFAOYSA-N
    • 374913-86-7
    • CCG-116606
    • MFCD01114908
    • DTXSID30358844
    • AKOS000270495
    • EN300-43969
    • CHEMBL1305072
    • HMS1490C07
    • MLS000067279
    • FT-0735305
    • Z274554436
    • ChemDiv3_006035
    • VU0156435-5
    • F3083-0098
    • (4-chloro-3,5-dimethyl-pyrazol-1-yl)-acetic acid, AldrichCPR
    • HMS2492M20
    • CS-0207120
    • FS-1852
    • SMR000124812
    • IDI1_023945
    • 2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)acetic acid
    • MDL： MFCD01114908
    • Inchi： 1S/C7H9ClN2O2/c1-4-7(8)5(2)10(9-4)3-6(11)12/h3H2,1-2H3,(H,11,12)
    • InChI Key： PSXIFNAQYKUAOF-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(CC(=O)O)C=1C

Computed Properties

  • Exact Mass: 188.03500
  • Monoisotopic Mass: 188.0352552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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
  • XLogP3: 1.4
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.4
  • Boiling Point: 341.3°C at 760 mmHg
  • Flash Point: 160.2°C
  • Refractive Index: 1.587
  • PSA: 55.12000
  • LogP: 1.23790

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic 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%

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid Pricemore >>

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