Phenol-2,3,4,5,6-d₅ - ≥98 atom% D,≥98% , CAS No.4165-62-2

CAS: 4165-62-2 Cat. No.: P472012 Fórmula: C₆HD₅O Peso molecular: 99.14 Número CE: 685-274-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Q63408938 | 2,3,4,5,6-pentadeuteriophenol | Phen-d5-ol | PHENOL (2,3,4,5,6-D5) | Phenol-d5 | MFCD00084164 | Phenol-2,3,4,5,6 D5; Phenol (ring-D5); Phen-2,3,4,5,6-d5-ol; Phen-d5-ol (7CI,8CI,9CI); 2,3,4,5,6-Pentadeuteriophenol | Phenol-2,3,4,5,6-d5, 98 atom

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Visão geral

Description

Phenol-2,3,4,5,6-d5is an isotope-labeled analog of phenol, wherein 2,3,4, 5, and 6thprotons of phenol are replaced by deuterium.Phenol-2,3,4,5,6-d5can be used as an internal analytical standard for accurate data interpretation using various analytical techniques.

Specifications

Sinónimos

Q63408938 | 2,3,4,5,6-pentadeuteriophenol | Phen-d5-ol | PHENOL (2,3,4,5,6-D5) | Phenol-d5 | MFCD00084164 | Phenol-2,3,4,5,6 D5; Phenol (ring-D5); Phen-2,3,4,5,6-d5-ol; Phen-d5-ol (7CI,8CI,9CI); 2,3,4,5,6-Pentadeuteriophenol | Phenol-2,3,4,5,6-d5, 98 atom

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

• Pubchem Sid: 488197941
• Sorrisos canónicos: C1=CC=C(C=C1)O
• IUPAC Name: 2,3,4,5,6-pentadeuteriophenol
• InChIKey: ISWSIDIOOBJBQZ-RALIUCGRSA-N
• INCHI: 1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D
• SMILES isoméricas: [2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]
• WGK Alemanha: 3
• Peso molecular: 99.14
• Reaxy-Rn: 969616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Ponto de inflamação (°F): 174.2 °F
• Ponto de inflamação (°C): 79 °C
• Ponto de ebulição (°C): 182 °C (lit.)
• Ponto de fusão (°C): 40-42 °C (lit.)
• Peso molecular: 99.140 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.0732 Da
• Monoisotopic Mass: 99.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 5
• 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