2-Hydroxy-4-methyl-3-nitropyridine - ≥98% , CAS No.21901-18-8

CAS: 21901-18-8 Cat. No.: H124332 Formule: C₆H₆N₂O₃ Poids moléculaire: 154.12 Beilstein Registry Number: 139125 Numéro CE: 626-893-2

GRADE & PURITY ≥98%

Synonyms

MFCD00010689 | 4-Methyl-3-nitro-2-pyridinol | 4-methyl-3-nitropyridin-2-ol | 4-methyl-3-nitro-1,2-dihydropyridin-2-one | J-501862 | InChI=1/C14H12N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h2-10H,1H | SY021194 | FT-0602478 | 4-Methyl-3-nitro-2-py

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

The conformational stability and the vibartional analysis of 2-hydroxy-4-methyl-3-nitropyridine was studied

Specifications

Synonymes

MFCD00010689 | 4-Methyl-3-nitro-2-pyridinol | 4-methyl-3-nitropyridin-2-ol | 4-methyl-3-nitro-1,2-dihydropyridin-2-one | J-501862 | InChI=1/C14H12N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h2-10H,1H | SY021194 | FT-0602478 | 4-Methyl-3-nitro-2-py

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488189566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189566
• Sourires canoniques: CC1=C(C(=O)NC=C1)[N+](=O)[O-]
• IUPAC Name: 4-methyl-3-nitro-1H-pyridin-2-one
• InChIKey: HZCWTTHQRMHIIE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O3/c1-4-2-3-7-6(9)5(4)8(10)11/h2-3H,1H3,(H,7,9)
• Isomères SMILES: CC1=C(C(=O)NC=C1)[N+](=O)[O-]
• WGK Allemagne: 3
• Poids moléculaire: 154.12
• Beilstein: 139125
• Reaxy-Rn: 1527044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1527044&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Dimethylformamide
• Point de fusion (°C): 234°C
• Poids moléculaire: 154.120 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 272.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 21901-18-8, the molecular formula is C6H6N2O3, and the molecular weight is 154.12 g/mol. InChIKey HZCWTTHQRMHIIE-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.