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

CAS: 17901-93-8 Cat. No.: B471952 Formule: C₆D₅CDO Poids moléculaire: 112.16 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[2H])[2H])[2H]
• CAS alternatif: 100-52-7 （unlabeled）
• Numéro ONU: 1990
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Indice de réfraction: n20/D 1.545 (lit.)
• Point d'éclair (°F): 145.0 °F - closed cup
• Point d'éclair (°C): 62.8 °C - closed cup
• Point d'ébullition (°C): 178-179℃ (lit.)
• Point de fusion (°C): −26℃ (lit.)
• Poids moléculaire: 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