1,3,6,8-Tetrabromopyrene

Basic Information

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CAS Number

128-63-2

Molecular Formula

C16H6Br4

Molecular Weight

517.84 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

416-420 °C

Boiling Point

548.218 ℃ at 760 mmHg

SMILES

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C1=CC2=C3C(=C(C=C2Br)Br)C=CC4=C(C=C(C1=C43)Br)Br

InChI

InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H

InChIKey

ZKBKRTZIYOKNRG-UHFFFAOYSA-N

LogP

7.634000000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

319

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SCHEMBL1005904
AC1266
YSZC173
EINECS 204-900-6
MFCD00428682
AS-59009
Pyrene, 1,3,6,8-tetrabromo-
6VWU1E395N
CS-W018441
SB66487
Q27265604
FT-0755634
1,3,6,8-Tetrabromopyrene, 97%
J-005616
128-63-2
1,3,6,8-Tetrabromopyrene
1,3,6,8- Tetrabromopyrene
AKOS003620496
C16H6Br4
T2716
NS00004777
A921470
SY052723
DTXSID2029165
UNII-6VWU1E395N
ZKBKRTZIYOKNRG-UHFFFAOYSA-N
Pyrene,1,3,6,8-tetrabromo-
1,3,6,8-Tetrabromopyrene 97%
1,3,6,8-Tetrabromo-pyrene
BAS 00428472
ABP001038

MDL Number

MFCD00428682

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,3,6,8-Tetrabromopyrene (CAS: 128-63-2)?

1,3,6,8-Tetrabromopyrene (CAS: 128-63-2) is a solid with a melting point of approximately 270°C. Its molecular weight is around 532.28 g/mol. It has low water solubility but is soluble in organic solvents such as chloroform and benzene. It is relatively stable under normal conditions but reacts with reducing agents to form lower brominated pyrenes.

How is 1,3,6,8-Tetrabromopyrene (CAS: 128-63-2) typically synthesized?

1,3,6,8-Tetrabromopyrene is typically synthesized through bromination of pyrene using bromine in the presence of a Lewis acid catalyst such as aluminum tribromide. The reaction is carried out at room temperature, and the yield is around 70-80%.

What industries use 1,3,6,8-Tetrabromopyrene (CAS: 128-63-2)?

1,3,6,8-Tetrabromopyrene is used in the pharmaceutical industry for the development of anticancer drugs, in the polymer industry as a flame retardant, in sensor technology for detection of harmful gases, and in semiconductor manufacturing for specific applications requiring high purity materials.

What precautions should be taken when handling 1,3,6,8-Tetrabromopyrene (CAS: 128-63-2)?

When handling 1,3,6,8-Tetrabromopyrene (CAS: 128-63-2), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation exposure. Spills should be cleaned up using activated carbon or a suitable absorbent, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information.