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4-Bromo-1-butyl-1H-pyrazole - 96%, high purity , CAS No.957062-61-2

COA

Grade & Purity:

≥96%

Cas Number: 957062-61-2
Molecular Weight: 203.1
PubChem CID: 26370231

In stock

Item Number

B188762

Grouped product items
SKU	Size	Availability	Price	Qty
B188762-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
B188762-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$722.90

Discover 4-Bromo-1-butyl-1H-pyrazole by Aladdin Scientific in 96% for only $241.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Bromo-1-butyl-1H-pyrazole \| 957062-61-2 \| 4-bromo-1-butylpyrazole \| 4-Bromo-1-butyl-pyrazole \| SCHEMBL672494 \| DTXSID90650098 \| KUKZNMXVEOCKFE-UHFFFAOYSA-N \| MFCD09801022 \| AKOS010259099 \| BS-24729 \| 4-Bromo-1-butyl-1H-pyrazole, AldrichCPR \| CS-0195435 \| E90257 \| A858897 \| F8882-3
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide 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-bromo-1-butylpyrazole
INCHI	InChI=1S/C7H11BrN2/c1-2-3-4-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3
InChIKey	KUKZNMXVEOCKFE-UHFFFAOYSA-N
Smiles	CCCCN1C=C(C=N1)Br
Isomeric SMILES	CCCCN1C=C(C=N1)Br
Molecular Weight	203.1
Reaxy-Rn	22996934
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22996934&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.080 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	202.011 Da
Monoisotopic Mass	202.011 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.600
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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