1,2,3,4,5-Pentabromo-6-methylbenzene

Basic Information

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CAS Number

87-83-2

Molecular Formula

C7H3Br5

Molecular Weight

486.62 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

285-286 °C

Boiling Point

356.78°C (rough estimate)

Density

3.0088 (rough estimate)

Flash Point

186.5±21.2 °C

Refractive Index

1.6303 (estimate)

SMILES

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Cc1c(c(c(c(c1Br)Br)Br)Br)Br

InChI

InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChIKey

OZHJEQVYCBTHJT-UHFFFAOYSA-N

LogP

5.807520000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

146

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Stability

Stable.

Synonyms & References

English

pentabromotoluene
2,3,4,5,6-Pentabromotoluene
2,3,4,5,6-Pentabromo
1,2,3,4,5-PENTABROMOTOLUENE
2,3',4,4',5,5'-HEXACB UNLABELED
2,3,4,5,6-pentabromo-toluene
2,3,4,5,6-PENTABROMTOLUOL
Flamex 5BT
Flammex 5BT
pentabromomethyl-benzene
Pentabromomethylbenzene
Benzene, pentabromomethyl-
Toluene, 2,3,4,5,6-pentabromo-
1,2,3,4,5-Pentabromo-6-methylbenzene
OZHJEQVYCBTHJT-UHFFFAOYSA-N
Benzene, 1,2,3,4,5-pentabromo-6-methyl-
87007N97G5
Benzene, methyl-, pentabromo deriv.
C7H3Br5
Maybridge1_002480
KSC495S8N
DivK1c_001232
HMS548I16
FR-7
Pentabromotoluene
1,2,3,4,5-Pentabromo-6-methylbenzene (ACI)
Benzene, pentabromomethyl- (9CI)
Toluene, 2,3,4,5,6-pentabromo- (6CI, 7CI, 8CI)
2,3,4,5,6-Pentabromomethylbenzene
PBT
PBT (flame retardant)

MDL Number

MFCD00000060

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2)?

1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2) is a solid with a crystalline form. It has a molecular weight of approximately 370.16 g/mol. This compound is poorly soluble in water but soluble in organic solvents. It is not highly reactive under normal conditions but can undergo bromination reactions under specific conditions. It has a high melting point and low volatility, making it suitable for various industrial applications.

How is 1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2) typically synthesized?

1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2) is typically synthesized through a bromination process. The synthesis usually involves the bromination of 6-methylbenzene using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is carried out in an inert solvent, and the yield can be improved by controlling the reaction conditions. The process is selective and yields a pure product.

What industries use 1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2)?

1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2) is used in various industries. It is commonly found in the pharmaceutical industry for its antimicrobial properties. It is also used in the polymer industry as an additive for flame retardancy. Additionally, it is utilized in the semiconductor industry for its use in thermal management and as a precursor for other organobromine compounds. It is also employed in the manufacturing of sensors and other electronic devices.

What precautions should be taken when handling 1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2)?

When handling 1,2,3,4,5-Pentabromo-6-methylbenzene (CAS: 87-83-2), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place, away from heat sources and incompatible materials. Use a fume hood during handling to minimize inhalation risks. In case of a spill, neutralize the spill with water and clean up according to standard safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.