1-Nitro-2-naphthaldehyde - ≥97% , CAS No.101327-84-8

CAS: 101327-84-8 Cat. No.: N165406 Molecular Weight: 201.18 EC Number: 188-119-5

GRADE & PURITY ≥97%

Synonyms

1-nitro-naphthalene-2-carbaldehyde | 1-nitronaphthalene-2-carbaldehyde | FT-0748489 | XQIMHJNMEFIADP-UHFFFAOYSA-N | EN300-7413886 | 2-Naphthalenecarboxaldehyde, 1-nitro- | DTXSID70404435 | N17091 | Z1509589928 | SCHEMBL2680824 | BEA32784 | AKOS015912664 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

On irradiation with UV light, 1-nitro-2-naphthaldehyde gets transformed into the corresponding nitroso acid.

Application：

1-Nitro-2-naphthaldehyde (NAA) may be used to prepare the precursors required for the preparation of 3-acetoxy-2-methylene-3-(1-nitronaphth-2-yl)propanoate and ethyl 3-acetoxy-2-methylene-3-(1-nitronaphth-2-yl)propanoate.

Specifications

Synonyms

1-nitro-naphthalene-2-carbaldehyde | 1-nitronaphthalene-2-carbaldehyde | FT-0748489 | XQIMHJNMEFIADP-UHFFFAOYSA-N | EN300-7413886 | 2-Naphthalenecarboxaldehyde, 1-nitro- | DTXSID70404435 | N17091 | Z1509589928 | SCHEMBL2680824 | BEA32784 | AKOS015912664 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763067
• Canonical Smiles: C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])C=O
• IUPAC Name: 1-nitronaphthalene-2-carbaldehyde
• InChIKey: XQIMHJNMEFIADP-UHFFFAOYSA-N
• INCHI: 1S/C11H7NO3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h1-7H
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])C=O
• WGK Germany: 3
• Molecular Weight: 201.18
• Reaxy-Rn: 3051060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3051060&ln=

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: Nitroaromatic compounds Aryl-aldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-nitronaphthalene - Nitroaromatic compound - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic cation - 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

Data sources

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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 109-110 °C (lit.)
• Molecular Weight: 201.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.043 Da
• Monoisotopic Mass: 201.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 261.000
• 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