2-Fluoro-3-pyridinecarboxaldehyde (Cas No 36404-90-7) ≥97% high purity and research grade

Pubchem Sid	504766414
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766414
Kanonisches Lächeln	C1=CC(=C(N=C1)F)C=O
IUPAC Name	2-fluoropyridine-3-carbaldehyde
InChIKey	OFBVGDCXXGXDKU-UHFFFAOYSA-N
INCHI	1S/C6H4FNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
Isomere SMILES	C1=CC(=C(N=C1)F)C=O
WGK Deutschland	3
Molekulargewicht	125.1
Reaxy-Rn	3537154
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3537154&ln=

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridine carboxaldehydes
Alternative Parents	Aryl-aldehydes 2-halopyridines Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridine carboxaldehyde - 2-halopyridine - Aryl-aldehyde - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Datum	Artikel
F1925051	Certificate of Analysis	Apr 26, 2022	F169927
G2315480	Certificate of Analysis	Apr 26, 2022	F169927

Chemische und physikalische Eigenschaften

Flammpunkt (°F)	163.4 °F
Flammpunkt (°C)	73 °C
Molekulargewicht	125.100 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	125.028 Da
Monoisotopic Mass	125.028 Da
Topological Polar Surface Area	30.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107.000
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

Lösungsrechner

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Bewertungen

2-Fluoro-3-pyridinecarboxaldehyde - ≥97% , CAS No.36404-90-7