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4-Chloro-1-propyl-1H-pyrazole - 95%, high purity , CAS No.1204901-63-2

COA

Grade & Purity:

≥95%

Cas Number: 1204901-63-2
Molecular Weight: 144.6
PubChem CID: 50896674

In stock

Item Number

C586583

Grouped product items
SKU	Size	Availability	Price
C586583-100mg	100mg	3	$40.90
C586583-250mg	250mg	3	$83.90
C586583-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90

Basic Description

Specifications & Purity	≥95%
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 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

IUPAC Name	4-chloro-1-propylpyrazole
INCHI	InChI=1S/C6H9ClN2/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKey	UTNHOVXFLARMHW-UHFFFAOYSA-N
Smiles	CCCN1C=C(C=N1)Cl
Isomeric SMILES	CCCN1C=C(C=N1)Cl
Molecular Weight	144.6
Reaxy-Rn	28782759
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28782759&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2320516	Certificate of Analysis	Jun 29, 2023	C586583
G2320515	Certificate of Analysis	Jun 29, 2023	C586583

Chemical and Physical Properties

Molecular Weight	144.600 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	144.045 Da
Monoisotopic Mass	144.045 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.100
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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