Cas no 876316-96-0 (5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole)

5-(Chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole is a versatile heterocyclic compound featuring a pyrazole core substituted with a chloromethyl group, a methyl group, and a thienyl moiety. This structure imparts reactivity at the chloromethyl position, making it a valuable intermediate in organic synthesis, particularly for functionalization or further derivatization. The presence of both pyrazole and thiophene rings enhances its utility in pharmaceutical and agrochemical applications, where such frameworks are often employed for their bioactivity. The compound’s well-defined reactivity profile and stability under standard conditions facilitate its use in cross-coupling reactions, nucleophilic substitutions, and other transformations. Its synthetic flexibility makes it a practical choice for researchers developing novel bioactive molecules or materials.
5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole structure
876316-96-0 structure
Product Name:5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole
CAS No:876316-96-0
MF:C9H9ClN2S
MW:212.699159383774
MDL:MFCD08435886
CID:719585
PubChem ID:18525812
Update Time:2025-11-02

5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole,5-(chloromethyl)-1-methyl-3-(2-thienyl)-
    • 5-(Chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole
    • 5-(chloromethyl)-1-methyl-3-thiophen-2-ylpyrazole
    • 2-[5-(chloromethyl)-1-methylpyrazol-3-yl]thiophene
    • 876316-96-0
    • 5-(Chloromethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole
    • starbld0003260
    • MFCD08435886
    • FT-0752286
    • MS-22350
    • DTXSID70594567
    • DB-077051
    • 5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole
    • MDL: MFCD08435886
    • Inchi: 1S/C9H9ClN2S/c1-12-7(6-10)5-8(11-12)9-3-2-4-13-9/h2-5H,6H2,1H3
    • InChI Key: GQMRXNSYTBKJTB-UHFFFAOYSA-N
    • SMILES: ClCC1=CC(C2=CC=CS2)=NN1C

Computed Properties

  • Exact Mass: 212.01700
  • Monoisotopic Mass: 212.0174972g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2
  • Topological Polar Surface Area: 46.1?2

Experimental Properties

  • Density: 1.33
  • Melting Point: 96 °C
  • Boiling Point: 336.3°C at 760 mmHg
  • Flash Point: 157.2°C
  • Refractive Index: 1.653
  • PSA: 46.06000
  • LogP: 2.88740

5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material Identification: C

5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole Pricemore >>

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5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole Suppliers

Amadis Chemical Company Limited
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(CAS:876316-96-0)5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole
Order Number:A1185699
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:58
Price ($):161.0
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Amadis Chemical Company Limited
(CAS:876316-96-0)5-(chloromethyl)-1-methyl-3-thien-2-yl-1H-pyrazole
A1185699
Purity:99%
Quantity:1g
Price ($):161.0
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