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3-Nitro-1,8-naphthalic anhydride - 90%, high purity , CAS No.3027-38-1

COA

Grade & Purity:

≥90%

Cas Number: 3027-38-1
Molecular Weight: 243.17
Beilstein Registry Number: 23762
MDL number: MFCD00006926
PubChem CID: 18194

In stock

Item Number

N141389

Grouped product items
SKU	Size	Availability	Price
N141389-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
N141389-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
N141389-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90

Basic Description

Synonyms	NSC 32326 \| 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro- \| 3-Nitronaphthalene-1,8-dicarboxylic anhydride \| 7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione \| FT-0616216 \| SCHEMBL1565380 \| AKOS005173861 \| BDBM50426885 \| F17
Specifications & Purity	≥90%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1,8-naphthalic anhydrides
Alternative Parents	Nitronaphthalenes 2-benzopyrans Nitroaromatic compounds Dicarboxylic acids and derivatives Carboxylic acid anhydrides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,8-naphthalic anhydride - 2-nitronaphthalene - Benzopyran - 2-benzopyran - Nitroaromatic compound - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,8-naphthalic anhydrides. These are organic aromatic compounds that contain a naphthalene carrying two carboxyl groups at the 1- and 8-positions. In naphthalene anhydrides, the two carboxyl groups at the 1- and 8-positions share one oxygen atom.
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	7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
INCHI	InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
InChIKey	FLFLZYYDLIKGJQ-UHFFFAOYSA-N
Smiles	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]
WGK Germany	3
RTECS	QK5370000
Molecular Weight	243.17
Beilstein	23762
Reaxy-Rn	23762
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23762&ln=

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

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Lot Number	Certificate Type	Date	Item
H2413159	Certificate of Analysis	Apr 01, 2024	N141389

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	247-249°C
Molecular Weight	243.170 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	243.017 Da
Monoisotopic Mass	243.017 Da
Topological Polar Surface Area	89.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	415.000
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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