Benzophenone-d₁₀ - ≥98%,≥98 atom% D , CAS No.22583-75-1

CAS: 22583-75-1 Cat. No.: B474135 Fórmula: C₁₃D₁₀O Peso molecular: 192.28 Número CE: 245-107-5

GRADE & PURITY ≥98%,≥98 atom% D

Synonyms

HY-Y0546S | DTXSID50177110 | bis(2,3,4,5,6-pentadeuteriophenyl)methanone | SCHEMBL16559394 | D98471 | J-014772 | METHANONE,DI(PHENYL-2,3,4,5,6-D5)- | EINECS 245-107-5 | Benzophenone-d10 | Benzophenone-d10, 99 atom % D | bis[(2,3,4,5,6-?H?)phenyl]methanone

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HY-Y0546S | DTXSID50177110 | bis(2,3,4,5,6-pentadeuteriophenyl)methanone | SCHEMBL16559394 | D98471 | J-014772 | METHANONE,DI(PHENYL-2,3,4,5,6-D5)- | EINECS 245-107-5 | Benzophenone-d10 | Benzophenone-d10, 99 atom % D | bis[(2,3,4,5,6-?H?)phenyl]methanone

Especificações e pureza

≥98%,≥98 atom% D

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%,≥98 atom% D

Nomes e identificadores

• Pubchem Sid: 528769771
• Sorrisos canónicos: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C(=O)c2c([2H])c([2H])c([2H])c([2H])c2[2H]
• IUPAC Name: bis(2,3,4,5,6-pentadeuteriophenyl)methanone
• InChIKey: RWCCWEUUXYIKHB-LHNTUAQVSA-N
• INCHI: 1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
• SMILES isoméricas: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
• CAS alternativo: 119-61-9（unlabelled）
• Peso molecular: 192.28
• Reaxy-Rn: 1238185
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238185&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• Solubilidade: Solubility：DMSO
• Sensibilidade: Light sensitive
• Ponto de ebulição (°C): 305 °C
• Ponto de fusão (°C): 47-51 °C
• Peso molecular: 192.280 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.136 Da
• Monoisotopic Mass: 192.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 10
• 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