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2-Bromo-3-methyl-2-cyclopenten-1-one - 98%, high purity , CAS No.80963-36-6

COA

Grade & Purity:

≥98%

Cas Number: 80963-36-6
Molecular Weight: 175.02
MDL number: MFCD01321232
PubChem CID: 4437009
PubChem SID: 488194874

In stock

Item Number

B472647

Grouped product items
SKU	Size	Availability	Price
B472647-100mg	100mg	3	$77.90
B472647-250mg	250mg	4	$134.90
B472647-1g	1g	1	$367.90

Basic Description

Synonyms	2-bromo-3-methyl-2-cyclopentene-1-one \| 2-Bromo-3-methyl-cyclopent-2-enone \| 2-Bromo-3-methylcyclopent-2-enone \| FT-0691570 \| DTXSID90403283 \| AKOS015834408 \| SCHEMBL1340249 \| 2-bromo-3-methylcyclopent-2-en-1-one \| 2-Bromo-3-methyl-2-cyclopenten-1-one \| 2
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Cyclic ketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-haloketone - Cyclic ketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O 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

Pubchem Sid	488194874
IUPAC Name	2-bromo-3-methylcyclopent-2-en-1-one
INCHI	InChI=1S/C6H7BrO/c1-4-2-3-5(8)6(4)7/h2-3H2,1H3
InChIKey	MXQAQVMJIDGQDO-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)CC1)Br
Isomeric SMILES	CC1=C(C(=O)CC1)Br
WGK Germany	3
Molecular Weight	175.02
Reaxy-Rn	4656596
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4656596&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
E2329501	Certificate of Analysis	Apr 26, 2023	B472647
E2329495	Certificate of Analysis	Apr 26, 2023	B472647
E2329496	Certificate of Analysis	Apr 26, 2023	B472647
E2329497	Certificate of Analysis	Apr 26, 2023	B472647
E2329493	Certificate of Analysis	Apr 26, 2023	B472647
E2329498	Certificate of Analysis	Apr 26, 2023	B472647

Chemical and Physical Properties

Flash Point(°F)	>235.4 °F
Flash Point(°C)	>113 °C
Melt Point(°C)	53-56 °C
Molecular Weight	175.020 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	173.968 Da
Monoisotopic Mass	173.968 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	158.000
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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