O-(7-Azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate - ≥98% , CAS No.873798-09-5

CAS: 873798-09-5 Cat. No.: A113345 Peso molecular: 322.09 Número EC: 805-247-5 PubChem CID: 11099301

GRADE & PURITY ≥98%

Synonyms

TATU | 2-chloro-5-(trifluoromethyl)-benzoic acid | EN300-265860 | 2-(3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate | 3,5-Dimethoxy-4-(acetyl)oxybenzaldehyde | 1-[bis(dimethylamino)methylene]-1h-1,2,3-triazolo[4,5-b]py

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

TATU | 2-chloro-5-(trifluoromethyl)-benzoic acid | EN300-265860 | 2-(3H-[1, 2, 3]Triazolo[4, 5-b]pyridin-3-yl)-1, 1, 3, 3-tetramethyluronium tetrafluoroborate | 3, 5-Dimethoxy-4-(acetyl)oxybenzaldehyde | 1-[bis(dimethylamino)methylene]-1h-1, 2, 3-triazolo[4, 5-b]py

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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: 488197166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197166
• Sonrisas canónicas: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
• IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;tetrafluoroborate
• InChIKey: AUPDFAPCZZXFMX-UHFFFAOYSA-N
• INCHI: 1S/C10H15N6O.BF4/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1
• PubChem CID: 11099301
• Número ONU: 1759
• Grupo de embalaje: III
• Peso molecular: 322.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Azole - Heteroaromatic compound - 1,2,3-triazole - Carboximidic acid derivative - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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: Heat sensitive
• Punto de fusión (°C): 184 °C
• Peso molecular: 322.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 322.134 Da
• Monoisotopic Mass: 322.134 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 307.000
• 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

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