Cas no 861001-09-4 (4-bromo-1-(chloromethyl)-1H-pyrazole)

4-Bromo-1-(chloromethyl)-1H-pyrazole is a versatile heterocyclic compound featuring both bromo and chloromethyl functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The bromo substituent enables further functionalization via cross-coupling reactions, while the chloromethyl group offers reactivity for nucleophilic substitution or polymerization. This compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty chemicals due to its structural flexibility and reactivity. Its stability under standard conditions ensures ease of handling and storage. Suitable for use in palladium-catalyzed reactions, it serves as a key building block for constructing complex pyrazole-based frameworks with precision.

4-bromo-1-(chloromethyl)-1H-pyrazole structure

861001-09-4 structure

Product Name:4-bromo-1-(chloromethyl)-1H-pyrazole

CAS No:861001-09-4

MF:C₄H₄BrClN₂

MW:195.444958686829

MDL:MFCD03423393

CID:3058160

PubChem ID:19576746

Update Time:2025-10-06

4-bromo-1-(chloromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

- 4-bromo-1-(chloromethyl)-1H-pyrazole
- AKOS000305520
- STK349249
- EN300-216153
- 4-bromo-1-(chloromethyl)pyrazole
- SCHEMBL13791713
- AT21633
- 861001-09-4
- MDL： MFCD03423393
- Inchi： 1S/C4H4BrClN2/c5-4-1-7-8(2-4)3-6/h1-2H,3H2
- InChI Key： UJOUTTMBZDTIQH-UHFFFAOYSA-N
- SMILES： BrC1C=NN(CCl)C=1

Computed Properties

Exact Mass: 193.92464Da
Monoisotopic Mass: 193.92464Da
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 8
Rotatable Bond Count: 1
Complexity: 80.4
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: 1.5
Topological Polar Surface Area: 17.8?2

4-bromo-1-(chloromethyl)-1H-pyrazole Pricemore >>

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