2-Methoxy-5-nitro-4-picoline - ≥97% , CAS No.6635-90-1

CAS: 6635-90-1 Cat. No.: M121805 Formule: C₇H₈N₂O₃ Poids moléculaire: 168.15 Numéro CE: 687-286-6

QUALITÉ & PURETÉ ≥97%

Synonyms

2-Methoxy-4-methyl-5-nitropyridine, 97% | DJNQRLCFAHKFLZ-UHFFFAOYSA-N | A8952 | SCHEMBL1559236 | NSC52457 | NSC-52457 | Pyridine, 2-methoxy-4-methyl-5-nitro- | BCP22158 | 2-methoxy-4-methyl-5-nitropyridine | 2-methoxy-4-methyl-5-nitro-pyridine | AM2006178

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

2-Methoxy-4-methyl-5-nitropyridine, 97% | DJNQRLCFAHKFLZ-UHFFFAOYSA-N | A8952 | SCHEMBL1559236 | NSC52457 | NSC-52457 | Pyridine, 2-methoxy-4-methyl-5-nitro- | BCP22158 | 2-methoxy-4-methyl-5-nitropyridine | 2-methoxy-4-methyl-5-nitro-pyridine | AM2006178

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488188950

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188950

Sourires canoniques

CC1=CC(=NC=C1[N+](=O)[O-])OC

IUPAC Name

2-methoxy-4-methyl-5-nitropyridine

InChIKey

DJNQRLCFAHKFLZ-UHFFFAOYSA-N

INCHI

1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3

Isomères SMILES

CC1=CC(=NC=C1[N+](=O)[O-])OC

WGK Allemagne

3

Poids moléculaire

168.15

Reaxy-Rn

140362

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140362&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: Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Methylpyridine - Pyridine - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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

• Point de fusion (°C): 77-82°C
• Poids moléculaire: 168.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.053 Da
• Monoisotopic Mass: 168.053 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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 ≥97% 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 6635-90-1, the molecular formula is C7H8N2O3, and the molecular weight is 168.15 g/mol. InChIKey DJNQRLCFAHKFLZ-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.