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5-Chloro-1,3-dimethylpyrazole - ≥98%, high purity , CAS No.54454-10-3

COA

Grade & Purity:

≥98%

Cas Number: 54454-10-3
Molecular Weight: 130.58
Beilstein Registry Number: 113451
MDL number: MFCD00051650
PubChem CID: 521507

In stock

Item Number

C770427

Grouped product items
SKU	Size	Availability	Price	Qty
C770427-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
C770427-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90

View related series

Aromatic heterocyclic compounds (462) Pyrazole compounds (95)

Basic Description

Synonyms	5-Chloro-1,3-dimethyl-1H-pyrazole
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen 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

IUPAC Name	5-chloro-1,3-dimethylpyrazole
INCHI	InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKey	DDUSLFAWARYAPR-UHFFFAOYSA-N
Smiles	CC1=NN(C(=C1)Cl)C
Isomeric SMILES	CC1=NN(C(=C1)Cl)C
PubChem CID	521507
Molecular Weight	130.58
Beilstein	113451

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	130.570 g/mol
XLogP3	1.600
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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