Benzyltrimethylammonium hydroxide solution - 40% w/w in methanol , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104503 Fórmula: C₁₀H₁₇NO Peso molecular: 167.25 Beilstein Registry Number: 3917256 Número EC: 202-895-5

GRADE & PURITY 40% w/w in methanol

Synonyms

Triton B | N,N,N-Trimethyl-N-benzylammonium hydroxide | N,N,N-trimethyl-1-phenylmethanaminium hydroxide | N,N,N-trimethylbenzenemethanaminium hydroxide

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Benzyltrimethylammonium hydroxide solution is a quaternary ammonium compound that is commonly used as a base in organic synthesis. It is also used as a base catalyst in some polymerization reactions.

Specifications

Sinónimos

Triton B | N,N,N-Trimethyl-N-benzylammonium hydroxide | N,N,N-trimethyl-1-phenylmethanaminium hydroxide | N,N,N-trimethylbenzenemethanaminium hydroxide

Especificaciones y pureza

40% w/w in methanol

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

528775162

Sonrisas canónicas

C[N+](C)(C)CC1=CC=CC=C1.[OH-]

IUPAC Name

benzyl(trimethyl)azanium;hydroxide

InChIKey

NDKBVBUGCNGSJJ-UHFFFAOYSA-M

INCHI

1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1

Isómeros SMILES

C[N+](C)(C)CC1=CC=CC=C1.[OH-]

WGK Alemania

3

Número ONU

3267

Grupo de embalaje

II

Peso molecular

167.25

Beilstein

3917256

Reaxy-Rn

3917256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic hydroxide - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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 water
• Sensibilidad: Hygroscopic,Air sensitive.
• Índice de refracción: 1.43
• Punto de inflamación (°F): 51.8 °F
• Punto de inflamación (°C): 15°C
• Punto de ebullición (°C): 65°
• Peso molecular: 167.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 167.131 Da
• Monoisotopic Mass: 167.131 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 107.000
• 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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