1-Bromo-4-(trans-4-propylcyclohexyl)benzene

Basic Information

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CAS Number

86579-53-5

Molecular Formula

C15H21Br

Molecular Weight

281.24 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCC[C@H]1CC[C@H](C2=CC=C(Br)C=C2)CC1

InChI

InChI=1S/C15H21Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13H,2-7H2,1H3/t12-,13-

InChIKey

GMZABADCQVWQPS-JOCQHMNTSA-N

LogP

5.523000000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

186

Synonyms & References

English

1-Bromo-4-(trans-4-propylcyclohexyl)benzene
1-BROMO-4-(4-PROPYL-CYCLOHEXYL)-BENZENE
1-BROMO-4-(TRANS-4-N-PROPYLCYCLOHEXYL)BENZENE
Benzene, 1-bromo-4-(trans-4-propylcyclohexyl)-
Benzene,1-bromo-4-(4-propylcyclohexyl)-, trans-
4-(trans-4-Propylcyclohexyl)bromobenzene
p-(trans-4-Propylcyclohexyl)bromobenzene
1-bromo-4-(4-propylcyclohexyl)benzene
KSC448A8N
GMZABADCQVWQPS-JOCQHMNTSA-N
4-trans-propylcyclohexyl bromobenzene
STK018858
DS-4

MDL Number

MFCD00577367

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5)?

1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5) is a crystalline solid with a molecular weight of approximately 284.16 g/mol. This compound has limited solubility in water but is more soluble in organic solvents such as ethanol and dichloromethane. Chemically, it shows moderate reactivity, particularly in nucleophilic substitution reactions. It is less reactive compared to primary and secondary bromides but can undergo reactions with strong bases and amines.

How is 1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5) typically synthesized?

1-Bromo-4-(trans-4-propylcyclohexyl)benzene is typically synthesized via a bromination reaction of 4-(trans-4-propylcyclohexyl)benzene using bromine in the presence of a Lewis acid catalyst. The reaction involves the electrophilic aromatic substitution of bromine at the 1-position of the benzene ring. This method provides good selectivity and yields up to 85% of the desired product.

What industries use 1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5)?

1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5) is used in various industries, particularly in the pharmaceutical sector for intermediate production. It is also utilized in the synthesis of certain polymers and as a reagent in organic chemistry for the introduction of functional groups. Additionally, it has applications in the development of sensors and semiconductors.

What precautions should be taken when handling 1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5)?

When handling 1-Bromo-4-(trans-4-propylcyclohexyl)benzene (CAS: 86579-53-5), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, well-ventilated area away from direct sunlight and heat sources. Use a fume hood during operations to minimize exposure. In case of spillage, follow standard laboratory safety procedures, and consult the Safety Data Sheet (SDS) for detailed instructions.