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3-Bromopiperidin-2-one - 95%, high purity , CAS No.34433-86-8

COA

Grade & Purity:

≥95%

Cas Number: 34433-86-8
Molecular Weight: 178.03
EC Number: ‘252-023-2
PubChem CID: 118171

In stock

Item Number

B588801

Grouped product items
SKU	Size	Availability	Price
B588801-100mg	100mg	3	$81.90
B588801-250mg	250mg	3	$155.90
B588801-1g	1g	2	$435.90

Basic Description

Synonyms	3-Bromo-2-piperidinone \| 3-Bromo-3,4,5,6-tetrahydropyridin-2-ol \| 3-Bromopiperidin-2-one \| MFCD09834399 \| SCHEMBL5029979 \| EINECS 252-023-2 \| 2-Piperidinone, 3-bromo- \| 3-Bromo-2-piperidone \| SY105168 \| FT-0757492 \| a-Bromovalerolactam \| F30215 \| SB43052
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinones
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinones
Alternative Parents	Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Delta-lactam - Piperidinone - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
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	3-bromopiperidin-2-one
INCHI	InChI=1S/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)
InChIKey	CJFHQJDFNSXAOC-UHFFFAOYSA-N
Smiles	C1CC(C(=O)NC1)Br
Isomeric SMILES	C1CC(C(=O)NC1)Br
Molecular Weight	178.03
Reaxy-Rn	108793
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108793&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
J2313288	Certificate of Analysis	Sep 21, 2023	B588801
J2313287	Certificate of Analysis	Sep 21, 2023	B588801
J2313289	Certificate of Analysis	Sep 21, 2023	B588801

Chemical and Physical Properties

Molecular Weight	178.030 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	176.979 Da
Monoisotopic Mass	176.979 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	105.000
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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