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1-Bromo-3-methyl-2-butanone - 95%, high purity , CAS No.19967-55-6

COA

Grade & Purity:

≥95%

Cas Number: 19967-55-6
Molecular Weight: 165
PubChem CID: 10899037

In stock

Item Number

B182528

Grouped product items
SKU	Size	Availability	Price
B182528-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
B182528-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90
B182528-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$503.90

Basic Description

Synonyms	1-bromo-3-methyl-2-butanone \| 1-bromo-3-methylbutan-2-one \| 19967-55-6 \| 1-bromo-3-methyl-butan-2-one \| 2-Butanone, 1-bromo-3-methyl- \| MFCD00015716 \| Isopropyl bromomethyl ketone \| 2-Bromo-1-isopropylethanone \| 1-bromo-3methylbutan-2-one \| SCHEMBL314018 \| DTXSID90447581 \| AKO
Specifications & Purity	≥95%
Shipped In	Normal

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	Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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

IUPAC Name	1-bromo-3-methylbutan-2-one
INCHI	InChI=1S/C5H9BrO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
InChIKey	NNTPEAXKKUPBHQ-UHFFFAOYSA-N
Smiles	CC(C)C(=O)CBr
Isomeric SMILES	CC(C)C(=O)CBr
Molecular Weight	165
Reaxy-Rn	741911
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741911&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G2417362	Certificate of Analysis	Apr 19, 2024	B182528

Chemical and Physical Properties

Molecular Weight	165.030 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.984 Da
Monoisotopic Mass	163.984 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	68.500
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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