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2-Bromo-1-(1，3-dimethyl-1H-pyrazol-5-yl)ethanone - ≥95%, high purity , CAS No.1015936-63-6

COA

Grade & Purity:

≥95%

Cas Number: 1015936-63-6
Molecular Weight: 217.06
PubChem CID: 17750409

In stock

Item Number

B729004

Grouped product items
SKU	Size	Availability	Price	Qty
B729004-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,460.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyrazoles Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Alpha-haloketone - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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	2-bromo-1-(2,5-dimethylpyrazol-3-yl)ethanone
INCHI	InChI=1S/C7H9BrN2O/c1-5-3-6(7(11)4-8)10(2)9-5/h3H,4H2,1-2H3
InChIKey	KVFFAPKXWKOIRP-UHFFFAOYSA-N
Smiles	CC1=NN(C(=C1)C(=O)CBr)C
Isomeric SMILES	CC1=NN(C(=C1)C(=O)CBr)C
PubChem CID	17750409
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	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.99 Da
Monoisotopic Mass	215.99 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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