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3-Nitro-1-naphthoic acid - ≥95%, high purity , CAS No.4507-84-0

COA

Grade & Purity:

≥95%

Cas Number: 4507-84-0
PubChem CID: 230772

In stock

Item Number

N696564

Grouped product items
SKU	Size	Availability	Price
N696564-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$338.90
N696564-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$563.90
N696564-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,126.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Nitronaphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Nitronaphthalenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitronaphthalenes
Alternative Parents	Naphthalenecarboxylic acids Nitrobenzoic acids and derivatives Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 2-nitronaphthalene - Nitrobenzoate - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	3-nitronaphthalene-1-carboxylic acid
INCHI	InChI=1S/C11H7NO4/c13-11(14)10-6-8(12(15)16)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
InChIKey	JTNZIGOFCKHWDV-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C=C2C(=O)O)[N+](=O)[O-]
Isomeric SMILES	C1=CC=C2C(=C1)C=C(C=C2C(=O)O)[N+](=O)[O-]
Alternate CAS	4507-84-0
PubChem CID	230772
NSC Number	26051

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.180 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	217.038 Da
Monoisotopic Mass	217.038 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	299.000
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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