2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate - ≥98% , CAS No.1001067-09-9

CAS: 1001067-09-9 Cat. No.: T162268 Peso molecular: 258.31 PubChem CID: 23731110

GRADE & PURITY ≥98%

Synonyms

2-(Trimethylsilyl)ethyl3-Nitro-1H-1,2,4-triazole-1-carboxylate | C8H14N4O4Si | BS-19003 | 2-trimethylsilylethyl 3-nitro-1,2,4-triazole-1-carboxylate | A897599 | T2544 | J-000046 | 2-(Trimethylsilyl)ethyl 3-Nitro-1H-1,2,4-triazole-1-carboxylate | 2-ethyl 3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-(Trimethylsilyl)ethyl3-Nitro-1H-1, 2, 4-triazole-1-carboxylate | C8H14N4O4Si | BS-19003 | 2-trimethylsilylethyl 3-nitro-1, 2, 4-triazole-1-carboxylate | A897599 | T2544 | J-000046 | 2-(Trimethylsilyl)ethyl 3-Nitro-1H-1, 2, 4-triazole-1-carboxylate | 2-ethyl 3

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769725
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769725
• Sonrisas canónicas: C[Si](C)(C)CCOC(=O)N1C=NC(=N1)[N+](=O)[O-]
• IUPAC Name: 2-trimethylsilylethyl 3-nitro-1,2,4-triazole-1-carboxylate
• InChIKey: BHTJYIDOVYPNKR-UHFFFAOYSA-N
• INCHI: 1S/C8H14N4O4Si/c1-17(2,3)5-4-16-8(13)11-6-9-7(10-11)12(14)15/h6H,4-5H2,1-3H3
• Isómeros SMILES: C[Si](C)(C)CCOC(=O)N1C=NC(=N1)[N+](=O)[O-]
• PubChem CID: 23731110
• Peso molecular: 258.31

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: Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkylsilanes Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Azole - 1,2,4-triazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Organic salt - Organic nitrogen compound - Organosilicon compound - Alkylsilane - Organic oxygen compound - Organooxygen compound - Organic metalloid moeity - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Peso molecular: 258.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 258.078 Da
• Monoisotopic Mass: 258.078 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 301.000
• 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

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