3,3',4,4',5,5'-Hexachloro(~13~C_12_)biphenyl

Basic Information

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CAS Number

16176-68-4

Molecular Formula

13C12H4Cl6

Molecular Weight

372.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Solubility

N/A

SMILES

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COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O

InChI

InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

InChIKey

ZHLICBPIXDOFFG-WCGVKTIYSA-N

LogP

7.274000000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

461

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
SCHEMBL12904353
Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-
CS-0022553
AKOS030573556
16176-68-4
AC-34036
Palmaturbine
PALMATRUBINE
DTXSID301347303
Palmatrubin
HY-N2373
2,3,10-Trimethoxy-5,6-dihydrodibenzo[a,g]quinolizinium-9-ol
CHEMBL3139798
Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-2,3,10-trimethoxy-
FT-0776197
Palmatrubine
5,6-Dihydro-9-hydroxy-2,3,10-trimethoxydibenzo[a,g]quinolizinium
7,8,13,13A-TETRADEHYDRO-9-HYDROXY-2,3,10-TRIMETHOXYBERBINIUM (REFERENCE GRADE)
5,6-Dihydro-9-hydroxy-2,3,10-trimethoxy-dibenzo[a,g]quinolizinium

MDL Number

MFCD28976041

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,3',4,4',5,5'-Hexachlorobiphenyl (CAS: 16176-68-4)?

3,3',4,4',5,5'-Hexachlorobiphenyl is a crystalline solid with a high melting point and low solubility in water. It has a molecular weight of approximately 364.83 g/mol. This compound is highly reactive with many organic compounds and is considered a persistent environmental pollutant.

How is 3,3',4,4',5,5'-Hexachlorobiphenyl (CAS: 16176-68-4) typically synthesized?

3,3',4,4',5,5'-Hexachlorobiphenyl is typically synthesized through a chlorination reaction of biphenyl in the presence of a Lewis acid catalyst. The process involves multiple steps to achieve the desired hexachlorinated product with good yield and selectivity.

What industries use 3,3',4,4',5,5'-Hexachlorobiphenyl (CAS: 16176-68-4)?

3,3',4,4',5,5'-Hexachlorobiphenyl has been historically used in the production of flame retardants, lubricants, and as a precursor in the synthesis of other chlorinated compounds. However, its use has been largely discontinued due to environmental concerns and the existence of more environmentally friendly alternatives.

What precautions should be taken when handling 3,3',4,4',5,5'-Hexachlorobiphenyl (CAS: 16176-68-4)?

When handling 3,3',4,4',5,5'-Hexachlorobiphenyl, it is essential to use personal protective equipment such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from heat sources and flammable materials. Use a fume hood during any manipulations, and follow proper spill cleanup procedures as outlined in the Safety Data Sheet (SDS).