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

CAS: 101327-84-8 Cat. No.: N165406 Fórmula: C₁₁H₇NO₃ Peso molecular: 201.18 Número CE: 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

Visão geral

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

Sinónimos

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 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504763067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763067
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])C=O
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe Naphthalenes
      • Subclass Nitronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air sensitive
• Ponto de fusão (°C): 109-110 °C (lit.)
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 101327-84-8, the molecular formula is C11H7NO3, and the molecular weight is 201.18 g/mol. InChIKey XQIMHJNMEFIADP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.