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2-Chloro-3-pyridinecarboxaldehyde - 90%, high purity , CAS No.36404-88-3

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2-Chloro-3-pyridinecarboxaldehyde - 90%, high purity , CAS No.36404-88-3

COA

Grade & Purity:

≥90%

Cas Number: 36404-88-3
Molecular Weight: 141.56
EC Number: MFCD01315308
MDL number: MFCD01315308
PubChem CID: 737607
PubChem SID: 504760088

In stock

Item Number

C639107

Grouped product items
SKU	Size	Availability	Price	Qty
C639107-1g	1g	3	$11.90

Basic Description

Synonyms	36404-88-3 \| 2-chloronicotinaldehyde \| 2-Chloro-3-formylpyridine \| 2-Chloropyridine-3-carbaldehyde \| 2-Chloro-3-pyridinecarboxaldehyde \| 2-chloropyridine-3-carboxaldehyde \| 2-Chloro-pyridine-3-carbaldehyde \| Chloro-2-formyl-3-pyridine \| MFCD01315308 \| 2-CHLORO-3-PYRIDINECA
Specifications & Purity	≥90%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Starting material for the preparation of 5-azaindoles by the Hemetsberger-Knittel reaction involving the thermal decomposition of alkenyl azides.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridine carboxaldehydes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridine carboxaldehydes
Alternative Parents	Aryl-aldehydes 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridine carboxaldehyde - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760088
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760088
IUPAC Name	2-chloropyridine-3-carbaldehyde
INCHI	InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H
InChIKey	KHPAGGHFIDLUMB-UHFFFAOYSA-N
Smiles	C1=CC(=C(N=C1)Cl)C=O
Isomeric SMILES	C1=CC(=C(N=C1)Cl)C=O
WGK Germany	3
Molecular Weight	141.56
Reaxy-Rn	386019
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386019&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
J2318821	Certificate of Analysis	Oct 30, 2023	C639107

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive
Flash Point(°F)	>230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	50-54°C
Molecular Weight	141.550 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	140.998 Da
Monoisotopic Mass	140.998 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

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