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

CAS: 373-61-5 Cat. No.: B102016 Formule: BF₃ · 2CH₃COOH Poids moléculaire: 187.91 Beilstein Registry Number: 3686517 Numéro CE: 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

Synonymes

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)-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528769058
• Sourires canoniques: 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)
• Isomères SMILES: B(F)(F)F.CC(=O)O.CC(=O)O
• WGK Allemagne: 3
• PubChem CID: 11116786
• Numéro ONU: 1742
• Groupe d'emballage: II
• Poids moléculaire: 187.91
• Beilstein: 3686517

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.368
• Point d'éclair (°F): 181.4 °F
• Point d'éclair (°C): 83 °C
• Poids moléculaire: 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

Références

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]