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4-bromo-1-(oxolan-3-yl)-1H-pyrazole - 97%, high purity , CAS No.1040377-07-8

COA

Grade & Purity:

≥97%

Cas Number: 1040377-07-8
Molecular Weight: 217.06
PubChem CID: 59231683

In stock

Item Number

B683113

Grouped product items
SKU	Size	Availability	Price
B683113-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
B683113-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
B683113-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$748.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 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 Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Azole - Oxolane - Heteroaromatic compound - Pyrazole - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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-(oxolan-3-yl)pyrazole
INCHI	InChI=1S/C7H9BrN2O/c8-6-3-9-10(4-6)7-1-2-11-5-7/h3-4,7H,1-2,5H2
InChIKey	DUCXLVIAUPCYIC-UHFFFAOYSA-N
Smiles	C1COCC1N2C=C(C=N2)Br
Isomeric SMILES	C1COCC1N2C=C(C=N2)Br
PubChem CID	59231683
Molecular Weight	217.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.060 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	215.99 Da
Monoisotopic Mass	215.99 Da
Topological Polar Surface Area	27.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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