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Halogenated Heterocycles
5-(4-Chlorophenyl)-1H-pyrazole - 97%, high purity , CAS No.59843-58-2

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5-(4-Chlorophenyl)-1H-pyrazole - 97%, high purity , CAS No.59843-58-2

COA

Grade & Purity:

≥97%

Cas Number: 59843-58-2
Molecular Weight: 178.6
MDL number: MFCD00111881
PubChem CID: 714291
PubChem SID: 488191217

In stock

Item Number

C185483

Grouped product items
SKU	Size	Availability	Price
C185483-1g	1g	10	$15.90
C185483-5g	5g	3	$60.90
C185483-25g	25g	3	$273.90

Basic Description

Synonyms	3-(4-Chlorophenyl)-1H-pyrazole, 97% \| FT-0613651 \| Maybridge4_004031 \| SMR000310183 \| HMS1532H05 \| IDI1_032853 \| SCHEMBL482367 \| AKOS002675414 \| BRD-K11428951-001-01-2 \| SY014842 \| AM-814/41090667 \| AB00612064-08 \| DTXSID90351932 \| STK802573 \| 3-(4-Chloro
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

microRNA 21 (64692 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191217
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191217
IUPAC Name	5-(4-chlorophenyl)-1H-pyrazole
INCHI	InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey	HLCXWJKNVWWWOF-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=NN2)Cl
Isomeric SMILES	C1=CC(=CC=C1C2=CC=NN2)Cl
WGK Germany	3
Molecular Weight	178.6
Reaxy-Rn	1618425
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1618425&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2202252	Certificate of Analysis	Sep 20, 2022	C185483
K2202223	Certificate of Analysis	Sep 20, 2022	C185483
K2202281	Certificate of Analysis	Sep 20, 2022	C185483
C23201043	Certificate of Analysis	Sep 20, 2022	C185483

Chemical and Physical Properties

Melt Point(°C)	100-104°C
Molecular Weight	178.620 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	178.03 Da
Monoisotopic Mass	178.03 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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5-(4-Chlorophenyl)-1H-pyrazole - 97%, high purity , CAS No.59843-58-2

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Alternative Products

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

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