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(S)-5-(Bromomethyl)-2-pyrrolidinone - 96%, high purity , CAS No.72479-05-1

COA

Grade & Purity:

≥96%

Cas Number: 72479-05-1
Molecular Weight: 178.03
MDL number: MFCD01632456
PubChem CID: 11229111
PubChem SID: 488197307

In stock

Item Number

B102458

Grouped product items
SKU	Size	Availability	Price
B102458-250mg	250mg	4	$47.90
B102458-1g	1g	6	$171.90
B102458-5g	5g	5	$769.90

Discover (S)-5-(Bromomethyl)-2-pyrrolidinone by Aladdin Scientific in 96% for only $47.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD01632456 \| (S)-5-(Bromomethyl)-2-pyrrolidinone \| DTXSID30459385 \| (5S)-5-(bromomethyl)pyrrolidin-2-one \| AKOS015833846 \| (S)-5-Bromomethyl-2-pyrrolidinone \| A837537 \| QFOSFXPTXNRRMF-BYPYZUCNSA-N \| (5S)-5-(bromomethyl)-2-pyrrolidinone \| SCHEMBL378495 \|
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidones
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine-2-ones
Alternative Parents	Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-pyrrolidone - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl bromide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
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	488197307
IUPAC Name	(5S)-5-(bromomethyl)pyrrolidin-2-one
INCHI	InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey	QFOSFXPTXNRRMF-BYPYZUCNSA-N
Smiles	C1CC(=O)NC1CBr
Isomeric SMILES	C1CC(=O)N[C@@H]1CBr
WGK Germany	3
Molecular Weight	178.03
Reaxy-Rn	35071590
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35071590&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2309443	Certificate of Analysis	Feb 07, 2025	B102458
E2309445	Certificate of Analysis	Feb 07, 2025	B102458
E2309449	Certificate of Analysis	Feb 07, 2025	B102458
E2309450	Certificate of Analysis	Feb 07, 2025	B102458
E2309430	Certificate of Analysis	Feb 07, 2025	B102458
G1918110	Certificate of Analysis	Feb 06, 2023	B102458
C2309099	Certificate of Analysis	Feb 06, 2023	B102458
L1221038	Certificate of Analysis	Oct 17, 2022	B102458

Chemical and Physical Properties

Specific Rotation[α]	[α]22/D −30.0°, c = 0.5 in ethanol
Melt Point(°C)	75-79°C
Molecular Weight	178.030 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	1
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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