1,3,5-Tris(3-bromophenyl)benzene

Basic Information

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CAS Number

96761-85-2

Molecular Formula

C24H15Br3

Molecular Weight

543.1 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

170.0 to 174.0 deg-C

SMILES

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C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H

InChIKey

JKCQADHKVQXKFF-UHFFFAOYSA-N

LogP

8.9751

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

388

Synonyms & References

English

3,3''-Dibromo-5'-(3-bromophenyl)-1,1':3',1''-terphenyl
1,3,5-Tris(3-bromophenyl)benzene
1,3,5-tri(3-bromophenyl)benzene
1,3,5-tri(m-bromophenyl)benzene
1,3,5-tris-(3-bromophenyl)benzene
1,3,5-Tris-(3-bromphenyl)-benzol
Benzene,1,3,5-tris(m-bromophenyl)- (7CI)
PubChem17448
1,3,5-tri-(3-bromophenyl)benzene
BC004245
AX8053686
X7247
A11217
761T852
3',3'',3'''-tribromo-1,1':3,1'':5,1'''-quaterphenyl
YSWG021
3,3′′-Dibromo-5′-(3-bromophenyl)-1,1′:3′,1′′-terphenyl (ACI)
Benzene, 1,3,5-tris(m-bromophenyl)- (7CI)
1,3,5-Tri(3-bromophenyl)benzene
1,3,5-Tri(m-bromophenyl)benzene
MFCD02323390
DS-17420
CS-0110814
T3073
3,3 inverted exclamation mark inverted exclamation mark -Dibromo-5 inverted exclamation mark -(3-bromophenyl)-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -terphenyl
AC-7651
96761-85-2
SCHEMBL1345303
SY055288
AC-776/15493005
AKOS005146176

MDL Number

MFCD02323390

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2)?

1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2) is a crystalline compound with a high melting point. Its molecular weight is approximately 468.01 g/mol. This compound is poorly soluble in water but has good solubility in organic solvents like chloroform and ethanol. Chemically, it is relatively stable but can undergo substitution reactions under certain conditions, making it useful in organic synthesis and materials science.

How is 1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2) typically synthesized?

1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2) is typically synthesized through a multistep process involving bromination of benzene and subsequent coupling reactions. The synthesis often requires the use of Lewis acids as catalysts and is conducted under anhydrous conditions. The overall yield is moderate to good, depending on the synthetic method and conditions.

What industries use 1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2)?

1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2) is used in various industries, including pharmaceuticals for the development of certain chemical intermediates, polymers for advanced materials, and sensor technology for detecting specific chemical compounds. Its unique structure also makes it valuable in semiconductor fabrication processes.

What precautions should be taken when handling 1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2)?

When handling 1,3,5-Tris(3-bromophenyl)benzene (CAS: 96761-85-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry, and well-ventilated area, preferably in a fume hood. Spills should be cleaned up using appropriate absorbents and handled according to the Material Safety Data Sheet (SDS).