TBTU - ≥98% , CAS No.125700-67-6

CAS: 125700-67-6 Cat. No.: T109338 Fórmula: C₁₁H₁₆BF₄N₅O Peso molecular: 321.08 Beilstein Registry Number: 7066325 Número EC: 423-040-4 PubChem CID: 2733207

GRADE & PURITY ≥98%

Synonyms

EN300-98707 | O-(1H-benzotriazol-1-yl)-N,N,N', N'-tetramethyluronium tetrafluoroborate | o-benzotriazol-l-yl-N,N,N',N'-tetramethyluronium tetrafluoroborate | 2-(1 H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate | 2413305-47-0 | O-(1H-ben

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Application：

O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate is used as used for solid-phase peptide synthesis. It is also used to study ten different phosphonium and uronium salt-based coupling reagents, which are used to synthesize four peptides.

Specifications

Sinónimos

EN300-98707 | O-(1H-benzotriazol-1-yl)-N,N,N', N'-tetramethyluronium tetrafluoroborate | o-benzotriazol-l-yl-N,N,N',N'-tetramethyluronium tetrafluoroborate | 2-(1 H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate | 2413305-47-0 | O-(1H-ben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

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: 508811042
• Sonrisas canónicas: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
• IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
• InChIKey: JKEKMBGUVUKMQB-UHFFFAOYSA-N
• INCHI: 1S/C11H16N5O.BF4/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
• WGK Alemania: 3
• PubChem CID: 2733207
• Número ONU: 1759
• Peso molecular: 321.08
• Beilstein: 7066325
• Reaxy-Rn: 7066325

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Carboximidic acid derivative - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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

• Solubilidad: Soluble in acetonitrile (100 mg/ml, clear, colorless), DMF (160.55 mg/ml, clear), and water (3 mg/ml at 20°C).
• Sensibilidad: Moisture ＆light sensitive
• Punto de fusión (°C): 200-205°C
• Peso molecular: 321.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 321.138 Da
• Monoisotopic Mass: 321.138 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• 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