5-Nitro-1-tetralone - ≥95% , CAS No.51114-73-9

CAS: 51114-73-9 Cat. No.: N193662 Formula: C₁₀H₉NO₃ Molecular Weight: 191.18

GRADE & PURITY ≥95%

Synonyms

A828443 | 1(2H)-Naphthalenone, 3,4-dihydro-5-nitro- | DS-16058 | 5-nitro-3,4-dihydro-1(2H)-naphthalenone | AKOS006328148 | DTXSID80437471 | SY018829 | FT-0655982 | 5-nitrotetralone | 5-Nitro-alpha-tetralone | MFCD09751533 | BCP21525 | AM20070359 | 5-nitro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A828443 | 1(2H)-Naphthalenone, 3,4-dihydro-5-nitro- | DS-16058 | 5-nitro-3,4-dihydro-1(2H)-naphthalenone | AKOS006328148 | DTXSID80437471 | SY018829 | FT-0655982 | 5-nitrotetralone | 5-Nitro-alpha-tetralone | MFCD09751533 | BCP21525 | AM20070359 | 5-nitro

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765363
• Canonical Smiles: C1CC2=C(C=CC=C2[N+](=O)[O-])C(=O)C1
• IUPAC Name: 5-nitro-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: HXTWAFNCOABMPL-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2
• Isomeric SMILES: C1CC2=C(C=CC=C2[N+](=O)[O-])C(=O)C1
• Molecular Weight: 191.18
• Reaxy-Rn: 2106871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2106871&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: Tetralins Nitroaromatic compounds Aryl alkyl ketones 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 - Tetralin - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Ketone - 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 - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - 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: Light sensitive
• Molecular Weight: 191.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.058 Da
• Monoisotopic Mass: 191.058 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 51114-73-9, the molecular formula is C10H9NO3, and the molecular weight is 191.18 g/mol. InChIKey HXTWAFNCOABMPL-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.