2,3,4,4',5,6-Hexachlorobiphenyl

Basic Information

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CAS Number

41411-63-6

Molecular Formula

C12H4Cl6

Molecular Weight

360.88 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

163°C

Boiling Point

446.99°C (rough estimate)

Refractive Index

1.6270 (rough estimate)

SMILES

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C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl

InChI

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

InChIKey

BTOCFTAWZMMTNB-UHFFFAOYSA-N

LogP

7.274

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

262

Synonyms & References

English

BTOCFTAWZMMTNB-UHFFFAOYSA-N
DTXSID8074150
SCHEMBL4458316
PCB No. 166 10 microg/mL in Isooctane
00865O20QZ
PCB No. 166
PCB 166
Q27231333
DTXCID3039907
1,1'-Biphenyl, 2,3,4,4',5,6,-hexachloro-
NS00077112
2,3,4,4',5,6-Hexachlorbiphenyl
2,3,4,4',5,6-Hexachloro-1,1'-biphenyl
1,1'-Biphenyl, 2,3,4,4',5,6-hexachloro-
1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene
41411-63-6
UNII-00865O20QZ
2,3,4,4',5,6-Hexachlorobiphenyl
1,1'-Biphenyl, 2,3,4,4',5,6-hexachloro-; 2,3,4,4',5,6-Hexachloro-1,1'-biphenyl; 2,3,4,4',5,6-Hexachlorobiphenyl; PCB 166; 2,3,4,4',5,6-HexaCB
1,1'-Biphenyl,2,3,4,4',5,6-hexachloro-
2,3,4,4',5,6-Hexachlorobiphenyl Solution
, 5, 6-HEXACHLOROBIPHEN
2, 3, 4, 4
2,3,4,4,5,6-Hexachlorobiphenyl100 μg

MDL Number

MFCD00152545

Customs Code

2903999010

FAQ

What are the physical and chemical properties of 2,3,4,4',5,6-Hexachlorobiphenyl (CAS: 41411-63-6)?

2,3,4,4',5,6-Hexachlorobiphenyl (CAS: 41411-63-6) is a crystalline solid with a molecular weight of approximately 364.84 g/mol. It has a low solubility in water but is highly soluble in organic solvents. This compound is not reactive under normal conditions but can undergo photodegradation. It is known for its persistence in the environment and bioaccumulation potential.

How is 2,3,4,4',5,6-Hexachlorobiphenyl (CAS: 41411-63-6) typically synthesized?

2,3,4,4',5,6-Hexachlorobiphenyl is typically synthesized through the chlorination of biphenyl using chlorine gas. The process involves multiple chlorination steps, and the reaction is often carried out in a solvent such as carbon tetrachloride. The yield and selectivity can be optimized using appropriate conditions and catalysts.

What industries use 2,3,4,4',5,6-Hexachlorobiphenyl (CAS: 41411-63-6)?

2,3,4,4',5,6-Hexachlorobiphenyl was historically used in the production of flame retardants, plasticizers, and as a component in some electronic materials. However, due to its persistence and environmental and health concerns, its use has been significantly reduced or banned in many countries. It is now mainly of historical or academic interest.

What precautions should be taken when handling 2,3,4,4',5,6-Hexachlorobiphenyl (CAS: 41411-63-6)?

When handling 2,3,4,4',5,6-Hexachlorobiphenyl, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and proper disposal should follow local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.