2,2',3,3',6-Pentachlorobiphenyl

Basic Information

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CAS Number

52663-60-2

Molecular Formula

C12H5Cl5

Molecular Weight

326.44 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

95.86°C (estimate)

Boiling Point

412.3°C (rough estimate)

Density

1.5220 (rough estimate)

Refractive Index

1.6200 (rough estimate)

SMILES

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C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl

InChI

InChI=1S/C12H5Cl5/c13-7-4-5-9(15)12(17)10(7)6-2-1-3-8(14)11(6)16/h1-5H

InChIKey

QVWUJLANSDKRAH-UHFFFAOYSA-N

LogP

6.620600000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

259

Synonyms & References

English

52663-60-2
2,2',3,3',6-PENTACHLOROBIPHENYL
UNII-VIF9S75RZV
QVWUJLANSDKRAH-UHFFFAOYSA-N
VIF9S75RZV
DTXSID0073536
PCB 84
2,2',3,3',6-Pentachloro-1,1'-biphenyl
DTXCID4041234
1,1'-Biphenyl, 2,2',3,3',6-pentachloro-
Q27291845
SCHEMBL4447012
2,2,3,3,6-PENTACHLOROBIPHENYL
1,2,4-trichloro-3-(2,3-dichlorophenyl)benzene
2,2',3,3',6-Pentachloro-1,1'-biphenyl #
1,1'-Biphenyl,2,2',3,3',6-pentachloro-
2,2',3,3',4-PENTACHLOROBIPHENYL
2,2',3,3',6-Pentachlorobiphenyl

MDL Number

MFCD00661141

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2,2',3,3',6-Pentachlorobiphenyl (CAS: 52663-60-2)?

2,2',3,3',6-Pentachlorobiphenyl is a colorless to white crystalline solid with a molecular weight of approximately 401.88 g/mol. It is only slightly soluble in water but highly soluble in organic solvents. This compound is relatively stable under normal conditions but can react with strong reducing agents. It has a low vapor pressure and high thermal stability.

How is 2,2',3,3',6-Pentachlorobiphenyl (CAS: 52663-60-2) typically synthesized?

2,2',3,3',6-Pentachlorobiphenyl is synthesized through a chlorination process, where biphenyl is chlorinated using chlorine gas under controlled conditions. This process often requires the use of a catalyst like iron or copper salts to improve yield and selectivity. The overall reaction is exothermic and should be carried out in a well-ventilated area.

What industries use 2,2',3,3',6-Pentachlorobiphenyl (CAS: 52663-60-2)?

2,2',3,3',6-Pentachlorobiphenyl has been used in the production of heat-resistant paints and varnishes, as well as in some electrical and electronic applications. Due to its chlorinated nature, it has also been utilized in flame retardants and plasticizers. However, its use is highly regulated due to environmental concerns.

What precautions should be taken when handling 2,2',3,3',6-Pentachlorobiphenyl (CAS: 52663-60-2)?

When handling 2,2',3,3',6-Pentachlorobiphenyl, it is essential to wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.