Etanol-d6 - anhidro, ≥99 átomos% D , CAS No.1516-08-1

CAS: 1516-08-1 Cat. No.: E102260 Fórmula: CD₃CD₂OD Peso molecular: 52.11 Beilstein Registry Number: 1699096 Número EC: 216-162-2 PubChem CID: 102138

GRADE & PURITY Anhydrous Grade, ≥99 atom% D

Synonyms

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

Storage

Argón cargado

Shipped In

Normal

Descripción general

descripción：

El etanol-d6 es un derivado deuterado del etanol. Tiene una pureza isotópica de 99,5atom%D. Es un disolvente de pureza estándar adecuado para análisis rutinarios de RMN (realizados a temperatura ambiente donde la calidad es menos crítica).

aplicación：

El etanol-d6 puede utilizarse como disolvente para la 5-exociclización inducida por tributilfosfina (PBu3) de un o-alquinoilfenol para formar aurona deuterada.

Specifications

Sinónimos

Ethyl-d5 alcohol-d, anhydrous | Q1101193 | Ethyl alcohol-d6 | DTXSID80934298 | 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane | ETHANOL-D6 (9CI) | Ethanol-d6, anhydrous, >=99.5 atom % D | J-008826 | Ethanol D6 anhydrous | CHEBI:193043 | (~2~H_5_)Ethan(~2~H)o

Especificaciones y pureza

anhidro, ≥99 átomos% D

Condiciones de almacenamiento de almacenamiento

Argón cargado

Enviado en

Normal

Grado

Anhydrous Grade

Pureza

≥99 atom% D

Nombres e identificadores

Pubchem Sid

504756508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756508

Sonrisas canónicas

CCO

IUPAC Name

1,1,1,2,2-pentadeuterio-2-deuteriooxyethane

InChIKey

LFQSCWFLJHTTHZ-LIDOUZCJSA-N

INCHI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D

Isómeros SMILES

[2H]C([2H])([2H])C([2H])([2H])O[2H]

WGK Alemania

1

PubChem CID

102138

Número ONU

1170

Peso molecular

52.11

Beilstein

1699096

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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；Heat sensitive
• Índice de refracción: 1.358
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 14°C
• Punto de ebullición (°C): 78°C
• Punto de fusión (°C): -130 °C (lit.)
• Peso molecular: 52.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 52.0795 Da
• Monoisotopic Mass: 52.0795 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 2.800
• Isotope Atom Count: 6
• 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: 1