Benz[a]anthracene-d12

Base Information

• Chemical Name: Benz[a]anthracene-d12
• CAS No.: 1718-53-2
• Molecular Formula: C₁₈H₁₂
• Molecular Weight: 240.198
• European Community (EC) Number: 624-576-3
• DSSTox Substance ID: DTXSID20483912
• Nikkaji Number: J1.636.531I
• Wikidata: Q72445028
• Mol file: 1718-53-2.mol

Synonyms:Benz[a]anthracene-d12;1718-53-2;Tetraphene-d12;BENZO(A)ANTHRACENE D12;1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene;benzo[a]anthracene-d12;Benzo(a)anthracene-d12;1,2-Benzanthracene-d12;Benz[a]anthracene D12;(?H??)tetraphene;Benz[a]anthracene D12 10 microg/mL in Acetonitrile;Benz[a]anthracene D12 10 microg/mL in Cyclohexane;DTXSID20483912;BAA71853;HY-W012278S;AKOS015903794;Benz[a]anthracene-d12, 98 atom % D;Benz[a]anthracene-d12, analytical standard;CS-0374719;D99428;J-010767

Chemical Property of Benz[a]anthracene-d12

Chemical Property:

• Melting Point: 157-159 °C(lit.)
• Boiling Point: 436.7 °C at 760 mmHg
• Flash Point: 209.1 °C
• PSA: 0.00000
• Density: 1.253 g/cm³
• LogP: 5.14620
• Storage Temp.: 2-8°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.169221334
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Benz[a]anthracene-d12 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,N
• Statements: 45-46-23/24/25-63-43-36/37/38-67-50/53
• Safety Statements: 53-22-36/37/39-45-36/37-24/25-23-61-26-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
• Isomeric 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]

Technology Process of Benz[a]anthracene-d12

There total 1 articles about Benz[a]anthracene-d12 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

benz[a]anthracene (56-55-3) → benzo[a]anthracene-d12 (1718-53-2)

Guidance literature:

With water-d2; hydrogen chloride; at 250 ℃; for 50h;

upstream raw materials:

benz[a]anthracene

Refernces