4-Methoxy-3-nitropyridine, HCl - ≥95% , CAS No.31872-61-4

CAS: 31872-61-4 Cat. No.: M183643 Summenformel: C₆H₆N₂O₃.ClH Molekulargewicht: 190.6 EG-Nummer: 681-666-5

GRADE & PURITY ≥95%

Synonyms

4-Methoxy-3-nitropyridine hydrochloride | 4Methoxy-3-nitropyridine hydrochloride | 4-Methoxy-3-nitropyridine, HCl | SB52416 | 4-METHOXY-3-NITROPYRIDINEHYDROCHLORIDE | AC-7213 | 3-nitro-4-methoxypyridine hcl | MFCD00051995 | FT-0618897 | 4-Methoxy-3-nitrop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Methoxy-3-nitropyridine hydrochloride | 4Methoxy-3-nitropyridine hydrochloride | 4-Methoxy-3-nitropyridine, HCl | SB52416 | 4-METHOXY-3-NITROPYRIDINEHYDROCHLORIDE | AC-7213 | 3-nitro-4-methoxypyridine hcl | MFCD00051995 | FT-0618897 | 4-Methoxy-3-nitrop

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C=NC=C1)[N+](=O)[O-].Cl
• IUPAC Name: 4-methoxy-3-nitropyridine;hydrochloride
• InChIKey: RRJVDMBZMAGZGE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O3.ClH/c1-11-6-2-3-7-4-5(6)8(9)10;/h2-4H,1H3;1H
• Isomere SMILES: COC1=C(C=NC=C1)[N+](=O)[O-].Cl
• Molekulargewicht: 190.6
• Reaxy-Rn: 10092917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10092917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 190.580 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.015 Da
• Monoisotopic Mass: 190.015 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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: 2

XLogP3

Häufig gestellte Fragen

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 31872-61-4, the molecular formula is C6H6N2O3.ClH, and the molecular weight is 190.6 g/mol. InChIKey RRJVDMBZMAGZGE-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.