Cas no 1004194-52-8 (4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole)

4-Chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole is a specialized heterocyclic compound featuring a pyrazole core substituted with chloro, fluorophenyl, and isothiocyanate functional groups. Its structural complexity and reactive isothiocyanate moiety make it a valuable intermediate in organic synthesis, particularly for the development of agrochemicals and pharmaceuticals. The presence of halogen substituents enhances its stability and reactivity, facilitating selective transformations. This compound is particularly useful in cross-coupling reactions and as a precursor for bioactive molecules. Its well-defined chemical properties and high purity ensure consistent performance in research and industrial applications. Proper handling is required due to its potential reactivity.
4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole structure
1004194-52-8 structure
Product Name:4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole
CAS No:1004194-52-8
MF:C11H6Cl2FN3S
MW:302.154841899872
MDL:MFCD04968685
CID:3058472
PubChem ID:7017365
Update Time:2025-06-07

4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole
    • AKOS B017644
    • ART-CHEM-BB B017644
    • 4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole
    • BBL039195
    • EN300-229220
    • STK313138
    • 4-chloro-1-[(2-chloro-6-fluoro-phenyl)methyl]-3-isothiocyanato-pyrazole
    • 1004194-52-8
    • DTXSID401147308
    • 4-Chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
    • 4-chloro-1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1H-pyrazole
    • AKOS000306996
    • 4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanatopyrazole
    • MDL： MFCD04968685
    • Inchi： 1S/C11H6Cl2FN3S/c12-8-2-1-3-10(14)7(8)4-17-5-9(13)11(16-17)15-6-18/h1-3,5H,4H2
    • InChI Key： FCHWTSUCZCINJA-UHFFFAOYSA-N
    • SMILES： ClC1C=CC=C(C=1CN1C=C(C(N=C=S)=N1)Cl)F

Computed Properties

  • Exact Mass: 300.9643519Da
  • Monoisotopic Mass: 300.9643519Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 340
  • 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: 4.9
  • Topological Polar Surface Area: 62.3?2

4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
025937-250mg
4-Chloro-1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole
 1004194-52-8
250mg
 ￡144.00 2022-03-01
Fluorochem
025937-1g
4-Chloro-1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole
 1004194-52-8
1g
 ￡287.00 2022-03-01
Fluorochem
025937-5g
4-Chloro-1-(2-chloro-6-fluoro-benzyl)-3-isothiocyanato-1H-pyrazole
 1004194-52-8
5g
 ￡782.00 2022-03-01
Enamine
EN300-229220-0.05g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
0.05g
 $612.0 2024-06-20
Enamine
EN300-229220-0.1g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
0.1g
 $640.0 2024-06-20
Enamine
EN300-229220-0.25g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
0.25g
 $670.0 2024-06-20
Enamine
EN300-229220-0.5g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
0.5g
 $699.0 2024-06-20
Enamine
EN300-229220-1.0g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
1.0g
 $728.0 2024-06-20
Enamine
EN300-229220-2.5g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
2.5g
 $1428.0 2024-06-20
Enamine
EN300-229220-5.0g
4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-isothiocyanato-1H-pyrazole
 1004194-52-8 95%
5.0g
 $2110.0 2024-06-20

4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole Related Literature

Related Categories

1004194-52-8 (4-chloro-1-(2-chloro-6-fluorophenyl)methyl-3-isothiocyanato-1H-pyrazole) Related Products

Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd