Sodium tert-butoxide solution - 2 M in THF , CAS No.865-48-5

CAS: 865-48-5 Cat. No.: S140748 Peso molecular: 96.1 Número EC: 212-741-9 PubChem CID: 23676156

GRADE & PURITY 2 M in THF

Synonyms

2-Propanol, 2-methyl-, sodium salt (1:1) | EC 212-741-9 | t-butoxysodium | (tert-butoxy)sodium | tertiary butoxy sodium | SH-003 | sodium tbutoxide | sodium t-butoxide | Sodium tert-butoxide, 97% | tert-butyl 4-formylpiperidine-1-carboxylate;N-BOC-PIPERID

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Propanol, 2-methyl-, sodium salt (1:1) | EC 212-741-9 | t-butoxysodium | (tert-butoxy)sodium | tertiary butoxy sodium | SH-003 | sodium tbutoxide | sodium t-butoxide | Sodium tert-butoxide, 97% | tert-butyl 4-formylpiperidine-1-carboxylate;N-BOC-PIPERID

Especificaciones y pureza

2 M in THF

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[O-].[Na+]
• IUPAC Name: sodium;2-methylpropan-2-olate
• InChIKey: MFRIHAYPQRLWNB-UHFFFAOYSA-N
• INCHI: 1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1
• Isómeros SMILES: CC(C)(C)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 23676156
• Peso molecular: 96.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Clase Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Clase: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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；Air sensitive
• Índice de refracción: 1.413
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 14 °C
• Punto de fusión (°C): 270 °C
• Peso molecular: 96.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0551 Da
• Monoisotopic Mass: 96.0551 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.000
• 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

Referencias

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