Benz[a]anthracene-d₁₂ - ≥98 atom% D,≥99% , CAS No.1718-53-2

CAS: 1718-53-2 Cat. No.: B471948 Fórmula: C₁₈D₁₂ Peso molecular: 240.36 Número CE: 624-576-3

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

AKOS015903794 | Benz[a]anthracene-d12, 98 atom % D | Benz[a]anthracene D12 10 microg/mL in Acetonitrile | D99428 | BAA71853 | Benz[a]anthracene D12 | Tetraphene-d12 | Benz[a]anthracene D12 10 microg/mL in Cyclohexane | (?H??)tetraphene | J-010767 | BENZO(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS015903794 | Benz[a]anthracene-d12, 98 atom % D | Benz[a]anthracene D12 10 microg/mL in Acetonitrile | D99428 | BAA71853 | Benz[a]anthracene D12 | Tetraphene-d12 | Benz[a]anthracene D12 10 microg/mL in Cyclohexane | (?H??)tetraphene | J-010767 | BENZO(

Especificações e pureza

≥98 atom% D,≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥98 atom% D,≥99%

Nomes e identificadores

Pubchem Sid

528775274

Sorrisos canónicos

[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c23

IUPAC Name

1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene

InChIKey

DXBHBZVCASKNBY-AQZSQYOVSA-N

INCHI

1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

SMILES isoméricas

[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C(=C4C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

WGK Alemanha

2

CAS alternativo

56-55-3（unlabelled）

Número UN

2811

Peso molecular

240.36

Reaxy-Rn

1909298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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: Hygroscopic
• Ponto de fusão (°C): 157-159°C
• Peso molecular: 240.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.169 Da
• Monoisotopic Mass: 240.169 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 12
• 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