Boron trifluoride acetic acid complex - ≥98% , CAS No.373-61-5

CAS: 373-61-5 Cat. No.: B102016 Peso molecular: 187.91 Beilstein Registry Number: 3686517 Número EC: 206-768-5 PubChem CID: 11116786

GRADE & PURITY ≥98%

Synonyms

MFCD00036359 | A874127 | acetic acid;trifluoroborane | Borate(1-), bis(acetato-.kappa.O)difluoro-, hydrogen fluoride (1:2:1), (T-4)- | AKOS015903322 | SCHEMBL734341 | FT-0623181 | Borate(1-), bis(acetato-O)difluoro-, dihydrogen fluoride, (T-4)-

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Specifications

Sinónimos

MFCD00036359 | A874127 | acetic acid;trifluoroborane | Borate(1-), bis(acetato-.kappa.O)difluoro-, hydrogen fluoride (1:2:1), (T-4)- | AKOS015903322 | SCHEMBL734341 | FT-0623181 | Borate(1-), bis(acetato-O)difluoro-, dihydrogen fluoride, (T-4)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated

Enviado en

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(F)(F)F.CC(=O)O.CC(=O)O
• IUPAC Name: acetic acid;trifluoroborane
• InChIKey: COTMJGCQSLZICX-UHFFFAOYSA-N
• INCHI: 1S/2C2H4O2.BF3/c2*1-2(3)4;2-1(3)4/h2*1H3,(H,3,4)
• Isómeros SMILES: B(F)(F)F.CC(=O)O.CC(=O)O
• WGK Alemania: 3
• PubChem CID: 11116786
• Número ONU: 1742
• Grupo de embalaje: II
• Peso molecular: 187.91
• Beilstein: 3686517

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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.
• Índice de refracción: 1.368
• Punto de inflamación (°F): 181.4 °F
• Punto de inflamación (°C): 83 °C
• Peso molecular: 187.910 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 188.047 Da
• Monoisotopic Mass: 188.047 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 39.000
• 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: 3

XLogP3

Referencias

1. Jiajun Gao, Wenyan Ma, Linpo Yuan, Yafen Dai, Chunxi Li.  (2013)  Catalytic oxidative desulfurization mechanism in Lewis–Brønsted complex acid.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2013.07.023]