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Methyl 4-(6-formylpyridin-2-yl)benzoate - 97%, high purity , CAS No.834884-81-0

COA

Grade & Purity:

≥97%

Cas Number: 834884-81-0
Molecular Weight: 241.24
MDL number: MFCD07368907
PubChem CID: 16217949
PubChem SID: 504768304

In stock

Item Number

M469728

Grouped product items
SKU	Size	Availability	Price	Qty
M469728-1g	1g	2	$252.90
M469728-5g	5g	1	$857.90

Basic Description

Synonyms	Methyl 4-(6-formylpyridin-2-yl)benzoate, 97% \| DTXSID40584677 \| E83296 \| 4-(6-Formylpyridin-2-yl)benzoic acid methyl ester \| Methyl 4-(6-formylpyridin-2-yl)benzoate \| METHYL 4-(6-FORMYLPYRIDIN-2-YL)BENZOATE& \| MFCD07368907 \| SCHEMBL302398
Specifications & Purity	≥97%
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 Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Benzoic acid esters Pyridine carboxaldehydes Benzoyl derivatives Aryl-aldehydes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylpyridine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - 2-pyridine carboxaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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	504768304
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768304
IUPAC Name	methyl 4-(6-formylpyridin-2-yl)benzoate
INCHI	InChI=1S/C14H11NO3/c1-18-14(17)11-7-5-10(6-8-11)13-4-2-3-12(9-16)15-13/h2-9H,1H3
InChIKey	SCXISFHBTLKUGI-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C2=CC=CC(=N2)C=O
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C2=CC=CC(=N2)C=O
WGK Germany	3
Molecular Weight	241.24
Reaxy-Rn	10432930
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10432930&ln=

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

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Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J2318593	Certificate of Analysis	Sep 05, 2023	M469728
J2318590	Certificate of Analysis	Sep 05, 2023	M469728
J2318594	Certificate of Analysis	Sep 05, 2023	M469728
J2318595	Certificate of Analysis	Sep 05, 2023	M469728

Chemical and Physical Properties

Melt Point(°C)	114-118 °C
Molecular Weight	241.240 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	241.074 Da
Monoisotopic Mass	241.074 Da
Topological Polar Surface Area	56.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	297.000
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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