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1-Butyl-2-pyrrolidone - >98.0%(GC), high purity , CAS No.3470-98-2

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3470-98-2
Molecular Weight: 141.215
MDL number: MFCD00020876
PubChem CID: 18984
PubChem SID: 504752918

In stock

Item Number

B124554

Grouped product items
SKU	Size	Availability	Price
B124554-5ml	5ml	5	$68.90
B124554-25ml	25ml	1	$183.90
B124554-100ml	100ml	3	$660.90
B124554-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,970.90

View related series

amide (313) Non heterocyclic block (8163)

Basic Description

Synonyms	BRN 0111543 \| B1254 \| 1-Butyl-2-pyrrolidone \| SY020373 \| N-Butyl-2-pyrrolidone \| AKOS006228803 \| DTXSID80188254 \| MFCD00020876 \| N-Butylpyrrolidone \| 1-Butyl-2-pyrrolidione \| EINECS 222-437-8 \| 1-Butyl-2-Pyrrodidone \| AS-36941 \| SCHEMBL10513 \| EN300-74140
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass N-alkylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	N-alkylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylpyrrolidines
Alternative Parents	Pyrrolidine-2-ones Tertiary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	504752918
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752918
IUPAC Name	1-butylpyrrolidin-2-one
INCHI	InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
InChIKey	BNXZHVUCNYMNOS-UHFFFAOYSA-N
Smiles	CCCCN1CCCC1=O
Isomeric SMILES	CCCCN1CCCC1=O
RTECS	UY5746000
Molecular Weight	141.215
Reaxy-Rn	111543
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111543&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D1707011	Certificate of Analysis	Dec 04, 2024	B124554
K2205053	Certificate of Analysis	Oct 24, 2022	B124554
K2205059	Certificate of Analysis	Oct 24, 2022	B124554
K2205058	Certificate of Analysis	Oct 24, 2022	B124554
K2205067	Certificate of Analysis	Oct 24, 2022	B124554
E2326181	Certificate of Analysis	Oct 24, 2022	B124554

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.4640 to 1.4660
Boil Point(°C)	137°C/28mmHg
Molecular Weight	141.210 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	141.115 Da
Monoisotopic Mass	141.115 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122.000
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

Citations of This Product

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