2-Methyl-3-nitropyridine - ≥98%(GC) , CAS No.18699-87-1

CAS: 18699-87-1 Cat. No.: M158831 Formula: C₆H₆N₂O₂ Peso molecolare: 138.13 Numero EC: 805-108-9

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL1232447 | CCFGTKQIRWHYTB-UHFFFAOYSA-N | Pyridine, 2-methyl-3-nitro | 2-Methyl-3-nitropyridine | 2-methyl-3-nitro-pyridine | A4138 | 3-Nitro-2-picoline | nitropicoline | AC-5610 | SY008045 | 3-NITROPICOLINE | MFCD04114137 | AM20050910 | FT-0649300 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL1232447 | CCFGTKQIRWHYTB-UHFFFAOYSA-N | Pyridine, 2-methyl-3-nitro | 2-Methyl-3-nitropyridine | 2-methyl-3-nitro-pyridine | A4138 | 3-Nitro-2-picoline | nitropicoline | AC-5610 | SY008045 | 3-NITROPICOLINE | MFCD04114137 | AM20050910 | FT-0649300 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 504758491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758491
• Sorrisi canonici: CC1=C(C=CC=N1)[N+](=O)[O-]
• IUPAC Name: 2-methyl-3-nitropyridine
• InChIKey: CCFGTKQIRWHYTB-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3
• Isomeri SMILES: CC1=C(C=CC=N1)[N+](=O)[O-]
• Peso molecolare: 138.13
• Reaxy-Rn: 118735
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118735&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 Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Methylpyridine - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive,Heat Sensitive
• Punto di infiammabilità (°C): 83 °C
• Punto di ebollizione (°C): 86°C/5mmHg(lit.)
• Punto di fusione (°C): 28 °C
• Peso molecolare: 138.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 18699-87-1, the molecular formula is C6H6N2O2, and the molecular weight is 138.13 g/mol. InChIKey CCFGTKQIRWHYTB-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.