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5-bromo-4-chloro-1H-pyrazole - 97%, high purity , CAS No.27258-12-4

COA

Grade & Purity:

≥97%

Cas Number: 27258-12-4
Molecular Weight: 181.42
PubChem CID: 13013117

In stock

Item Number

B633396

Grouped product items
SKU	Size	Availability	Price
B633396-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
B633396-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
B633396-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,549.90

Basic Description

Synonyms	3-Bromo-4-chloro-1H-pyrazole \| 5-Bromo-4-chloro-1H-pyrazole \| 27258-12-4 \| 1H-Pyrazole, 3-bromo-4-chloro- \| 4-chloro-(bromo)pyrazole \| SCHEMBL13572344 \| CBA25812 \| MFCD22398342 \| STL588200 \| AKOS040825741 \| PB42442 \| P18154
Specifications & Purity	≥97%
Shipped In	Normal

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	Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - 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-bromo-4-chloro-1H-pyrazole
INCHI	InChI=1S/C3H2BrClN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKey	SJUYPDARMRALRH-UHFFFAOYSA-N
Smiles	C1=NNC(=C1Cl)Br
Isomeric SMILES	C1=NNC(=C1Cl)Br
PubChem CID	13013117
Molecular Weight	181.42

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.420 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	179.909 Da
Monoisotopic Mass	179.909 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70.000
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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