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3-Nitroisonicotinaldehyde - 98%, high purity , CAS No.153813-70-8

COA

Grade & Purity:

≥98%

Cas Number: 153813-70-8
Molecular Weight: 152.11
PubChem CID: 2762987
PubChem SID: 504761708

In stock

Item Number

N191112

Grouped product items
SKU	Size	Availability	Price
N191112-25mg	25mg	3	$87.90
N191112-100mg	100mg	3	$172.90
N191112-250mg	250mg	2	$344.90
N191112-1g	1g	2	$1,030.90

Basic Description

Synonyms	3-nitroisonicotinaldehyde \| 153813-70-8 \| 3-nitropyridine-4-carbaldehyde \| 3-Nitropyridine-4-carboxaldehyde \| 3-nitro-4-pyridinecarboxaldehyde \| MFCD06253937 \| 4-Pyridinecarboxaldehyde, 3-nitro- \| SCHEMBL319184 \| 3-nitro-pyridine-4-carbaldehyde \| DTXSID20376638 \| CPHKHQSASVF
Specifications & Purity	≥98%
Shipped In	Normal

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	Nitroaromatic compounds Aryl-aldehydes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - 4-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen 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

Names and Identifiers

Pubchem Sid	504761708
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761708
IUPAC Name	3-nitropyridine-4-carbaldehyde
INCHI	InChI=1S/C6H4N2O3/c9-4-5-1-2-7-3-6(5)8(10)11/h1-4H
InChIKey	CPHKHQSASVFAHL-UHFFFAOYSA-N
Smiles	C1=CN=CC(=C1C=O)[N+](=O)[O-]
Isomeric SMILES	C1=CN=CC(=C1C=O)[N+](=O)[O-]
Molecular Weight	152.11
Reaxy-Rn	123419
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123419&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
L2104226	Certificate of Analysis	Sep 18, 2024	N191112
L2104231	Certificate of Analysis	Sep 18, 2024	N191112
L2104232	Certificate of Analysis	Sep 18, 2024	N191112
L2104233	Certificate of Analysis	Sep 18, 2024	N191112

Chemical and Physical Properties

Molecular Weight	152.110 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	152.022 Da
Monoisotopic Mass	152.022 Da
Topological Polar Surface Area	75.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	166.000
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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