2-methyl-5-nitropyrimidine - ≥97% , CAS No.14080-34-3

CAS: 14080-34-3 Cat. No.: M173963 Fórmula: C₅H₅N₃O₂ Peso molecular: 139.114

GRADE & PURITY ≥97%

Synonyms

A807691 | 2-methyl-5-nitropyrimidine | 2-methyl-5-nitro-pyrimidine | PB32192 | P10108 | AS-50402 | FT-0648381 | DTXSID10498358 | PYRIMIDINE,2-METHYL-5-NITRO- | MFCD00234086 | 4-Hydroxy-4-(4-methoxy-2,5-dimethyl-phenyl)-butyricacid | AMY10168 | Pyrimidine,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A807691 | 2-methyl-5-nitropyrimidine | 2-methyl-5-nitro-pyrimidine | PB32192 | P10108 | AS-50402 | FT-0648381 | DTXSID10498358 | PYRIMIDINE,2-METHYL-5-NITRO- | MFCD00234086 | 4-Hydroxy-4-(4-methoxy-2,5-dimethyl-phenyl)-butyricacid | AMY10168 | Pyrimidine,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CC1=NC=C(C=N1)[N+](=O)[O-]

IUPAC Name

2-methyl-5-nitropyrimidine

InChIKey

NLGWYOYUTYUEQT-UHFFFAOYSA-N

INCHI

1S/C5H5N3O2/c1-4-6-2-5(3-7-4)8(9)10/h2-3H,1H3

Isómeros SMILES

CC1=NC=C(C=N1)[N+](=O)[O-]

Peso molecular

139.114

Reaxy-Rn

120359

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase 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
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 139.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 139.038 Da
• Monoisotopic Mass: 139.038 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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