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

CAS: 1718-53-2 Cat. No.: B471948 Summenformel: C₁₈D₁₂ Molekulargewicht: 240.36 EG-Nummer: 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

Synonyme

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(

Spezifikationen & Reinheit

≥98 atom% D,≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥99%

Namen und Kennungen

• Pubchem Sid: 528775274
• Kanonisches Lächeln: [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
• Isomere SMILES: [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 Deutschland: 2
• Alternative CAS-Nummer: 56-55-3（unlabelled）
• UN-Nummer: 2811
• Molekulargewicht: 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
    • Klasse Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 157-159°C
• Molekulargewicht: 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