Benzaldehyde-d₆ - ≥98 atom% D,≥98% , CAS No.17901-93-8

CAS: 17901-93-8 Cat. No.: B471952 Fórmula: C₆D₅CDO Peso molecular: 112.16 Número EC: 686-073-5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

AKOS015889552 | Benzaldehyde-d6, 98 atom % D | SCHEMBL1331284 | deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone | (formyl-~2~H_6_)Benzaldehyde | DTXSID40514616 | Benzaldehyde-d6 | A935333

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

Benzaldehyde-d6 98 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes.

Features：Ideal for Advanced mass spectrometry applications； Enhances sensitivity in analytical techniques；Supports high-throughput analysis in research；Safe and effective for laboratory use

Benefits： Increases sensitivity in mass spectrometry techniques；Provides valuable insights for pharmacokinetic research； Enhances understanding of protein interactions；Supports innovative research in structural biology

Specifications

Sinónimos

AKOS015889552 | Benzaldehyde-d6, 98 atom % D | SCHEMBL1331284 | deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone | (formyl-~2~H_6_)Benzaldehyde | DTXSID40514616 | Benzaldehyde-d6 | A935333

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C=O
• IUPAC Name: deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone
• InChIKey: HUMNYLRZRPPJDN-MZWXYZOWSA-N
• INCHI: 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1D,2D,3D,4D,5D,6D
• Isómeros SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[2H])[2H])[2H]
• CAS alternativo: 100-52-7 （unlabeled）
• Número ONU: 1990
• Peso molecular: 112.16
• Reaxy-Rn: 1945292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945292&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: Light sensitive
• Índice de refracción: n20/D 1.545 (lit.)
• Punto de inflamación (°F): 145.0 °F - closed cup
• Punto de inflamación (°C): 62.8 °C - closed cup
• Punto de ebullición (°C): 178-179℃ (lit.)
• Punto de fusión (°C): −26℃ (lit.)
• Peso molecular: 112.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.08 Da
• Monoisotopic Mass: 112.08 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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