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4-FORMYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER - 97%, high purity , CAS No.2199-64-6

COA

Grade & Purity:

≥97%

Cas Number: 2199-64-6
Molecular Weight: 195.22
PubChem CID: 137486
PubChem SID: 504757120

In stock

Item Number

F168679

Grouped product items
SKU	Size	Availability	Price
F168679-10mg	10mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
F168679-100mg	100mg	3	$46.90
F168679-250mg	250mg	3	$70.90
F168679-1g	1g	4	$174.90
F168679-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$783.90

Basic Description

Synonyms	2199-64-6 \| ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate \| 4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester \| ethyl 3,5-dimethyl-4-formylpyrrole-2-carboxylate \| NSC13665 \| SCHEMBL1801531 \| DTXSID20176418 \| CLJUICOFPKFFGJ-UHFFFAOYSA-N \| ETHYL4-FORMYL
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrole carboxylic acids and derivatives
Alternative Parents	Aryl-aldehydes Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Aryl-aldehyde - Substituted pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
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	504757120
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757120
IUPAC Name	ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
INCHI	InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)7(3)11-9/h5,11H,4H2,1-3H3
InChIKey	CLJUICOFPKFFGJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(C(=C(N1)C)C=O)C
Isomeric SMILES	CCOC(=O)C1=C(C(=C(N1)C)C=O)C
Molecular Weight	195.22
Reaxy-Rn	155433
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155433&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
L2417278	Certificate of Analysis	Dec 27, 2024	F168679
A2207964	Certificate of Analysis	Oct 24, 2024	F168679
A2207899	Certificate of Analysis	Oct 24, 2024	F168679
A2207965	Certificate of Analysis	Oct 24, 2024	F168679
A2207886	Certificate of Analysis	Oct 24, 2024	F168679
A2207887	Certificate of Analysis	Oct 24, 2024	F168679
G2315493	Certificate of Analysis	Dec 22, 2021	F168679
G2315509	Certificate of Analysis	Dec 22, 2021	F168679

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	195.210 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	195.09 Da
Monoisotopic Mass	195.09 Da
Topological Polar Surface Area	59.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229.000
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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