Photoaldrin

Base Information

• Chemical Name: Photoaldrin
• CAS No.: 13350-71-5
• Deprecated CAS: 13366-64-8,23421-66-1
• Molecular Formula: C12H8Cl6
• Molecular Weight: 364.91
• DSSTox Substance ID: DTXSID20928156
• Mol file: 13350-71-5.mol

Synonyms:Photoaldrin;13350-71-5;Aldrin isomer;1,2,3,10,11,12-hexachloropentacyclo[6.4.0.02,10.03,7.04,9]dodec-5-ene;SD 18303;2,4,7-Metheno-1H-cyclopenta(a)pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2R,3R,3aS,3bS,4S,6aR,7S,7aS)-rel-;2,4,7-Metheno-1H-cyclopenta[a]pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2R,3R,3aS,3bS,4S,6aR,7S,7aS)-rel-;1,2,3,3a,3b,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-1h-3,4,7-(methanetriyl)cyclopenta[a]pentalene;DTXSID20928156;WOLXXINQKHSWTP-UHFFFAOYSA-N;2,4,7-Metheno-1H-cyclopenta(a)pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2alpha,3alpha,3aalpha,3balpha,4beta,6aalpha,7beta,7aalpha)-

Chemical Property of Photoaldrin

Chemical Property:

• Vapor Pressure: 5.15E-07mmHg at 25°C
• Boiling Point: 424.3°C at 760 mmHg
• Flash Point: 217°C
• PSA: 0.00000
• Density: 1.81g/cm³
• LogP: 4.40570
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 363.872766
• Heavy Atom Count: 18
• Complexity: 493

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2C3C4C1C2(C5(C4(C(C(C35Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of Photoaldrin

There total 9 articles about Photoaldrin 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:

C12H10Cl6O (74416-03-8) → photoaldrin (13350-71-5,23421-66-1,13366-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.4 g / pyridine / 144 h

2: 0.36 g / acetic acid / 20 h / Heating

In pyridine; acetic acid;

DOI:10.1016/0040-4020(80)80029-9

Reference yield:

C12H10Cl6O (74416-04-9) → photoaldrin (13350-71-5,23421-66-1,13366-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 144 h

2: 0.2 g / acetic acid / 20 h / Heating

In pyridine; acetic acid;

DOI:10.1016/0040-4020(80)80029-9

Reference yield:

C14H12Cl6O2 (74416-00-5,74431-92-8) → photoaldrin (13350-71-5,23421-66-1,13366-64-8)

Guidance literature:

Multi-step reaction with 3 steps

1: basic hydrolysis

2: 3.4 g / pyridine / 144 h

3: 0.36 g / acetic acid / 20 h / Heating

In pyridine; acetic acid;

DOI:10.1016/0040-4020(80)80029-9

upstream raw materials:

sodium acetate

C₁₃H₁₂Cl₆O₃S

C₁₃H₁₂Cl₆O₃S

C₁₂H₁₀Cl₆O

Downstream raw materials:

photodieldrin

C₂₀H₁₂Cl₆O₄

Refernces

• 1、 Rosen. "". . p. 189. Retrieved 1967.
• 2、 Bird,Khan. "Some regioselective reactions of photoaldrin and photodieldrin". . p. 525 - 528. Retrieved 2007/10/02.