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4-Chloro-1,3-Dimethyl-1H-Pyrazole - 98%, high purity , CAS No.15878-44-1

COA

Grade & Purity:

≥98%

Cas Number: 15878-44-1
Molecular Weight: 130.58
MDL number: MFCD20441438
PubChem CID: 12823254
PubChem SID: 488198262

In stock

Item Number

C480122

Grouped product items
SKU	Size	Availability	Price
C480122-100mg	100mg	10	$100.90
C480122-250mg	250mg	6	$174.90
C480122-1g	1g	2	$841.90
C480122-5g	5g	1	$1,660.90

Basic Description

Synonyms	A848540 \| SY333227 \| 4-chloro-1,3-dimethylpyrazole \| STK292775 \| 1H-Pyrazole, 4-chloro-1,3-dimethyl- \| MFCD09743376 \| DTXSID40510739 \| 1H-Pyrazole,4-chloro-1,3-dimethyl- \| AKOS002160540 \| 1,3-dimethyl-4-chloropyrazole \| 4-chloro-1,3-dimethyl-1H-pyrazole \|
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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

Names and Identifiers

Pubchem Sid	488198262
IUPAC Name	4-chloro-1,3-dimethylpyrazole
INCHI	InChI=1S/C5H7ClN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKey	OILOPOQPXXGBIR-UHFFFAOYSA-N
Smiles	CC1=NN(C=C1Cl)C
Isomeric SMILES	CC1=NN(C=C1Cl)C
Molecular Weight	130.58
Reaxy-Rn	108862
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108862&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2324997	Certificate of Analysis	Mar 23, 2023	C480122
D23241007	Certificate of Analysis	Mar 23, 2023	C480122
D23241010	Certificate of Analysis	Mar 23, 2023	C480122
D23241011	Certificate of Analysis	Mar 23, 2023	C480122
D23241003	Certificate of Analysis	Mar 23, 2023	C480122
D23241004	Certificate of Analysis	Mar 23, 2023	C480122
D23241002	Certificate of Analysis	Mar 23, 2023	C480122
D23241012	Certificate of Analysis	Mar 23, 2023	C480122

Chemical and Physical Properties

Molecular Weight	130.570 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	130.03 Da
Monoisotopic Mass	130.03 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.500
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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