1-Bromo-4-cyclohexylbenzene

Basic Information

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CAS Number

25109-28-8

Molecular Formula

C12H15Br

Molecular Weight

239.16 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

No data available

Boiling Point

90-94 °C/0.01 mmHg

Water Solubility

Not miscible or difficult to mix with water.

Flash Point

90-94°C/0.01mm

Refractive Index

1.5595

SMILES

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C1CCC(CC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2

InChIKey

LVIJLEREXMVRAN-UHFFFAOYSA-N

LogP

4.496800000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

141

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

NSC 67355
J-504444
?1-Bromo-4-cyclohexylbenzene
4-cyclohexylbromobenzene
Cyclohexane, (p-bromophenyl)-
(4-Bromophenyl)cyclohexane
NS00027808
DTXSID90179794
NCIOpen2_003485
4-Bromophenylcyclohexane
LVIJLEREXMVRAN-UHFFFAOYSA-
P-BROMOCYCLOHEXYLBENZENE
MFCD00019339
R66NHB86A6
EINECS 246-623-3
AS-37149
SY050256
4-Bromocyclohexylbenzene
AKOS005207316
NSC-67355
1-Bromo-4-cyclohexylbenzene
AI3-11173
FT-0607500
CS-W014661
LVIJLEREXMVRAN-UHFFFAOYSA-N
NSC67355
InChI=1/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
SCHEMBL126116
25109-28-8
B2686
Benzene, 1-bromo-4-cyclohexyl-

MDL Number

MFCD00019339

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8)?

1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8) is a solid crystalline compound with a molecular weight of approximately 215.12 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and dichloromethane. Chemically, it is reactive towards nucleophiles and electrophiles. It is a brominated derivative of benzene with a cyclohexyl substituent, making it useful in organic synthesis and as a precursor for various functionalized compounds.

How is 1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8) typically synthesized?

1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8) is typically synthesized via a substitution reaction. The common method involves reacting bromobenzene with cyclohexylmagnesium bromide in a Grignard reaction. The reaction is highly selective, and the yield can be over 90%. This method requires anhydrous conditions and is often carried out in anhydrous tetrahydrofuran (THF).

What industries use 1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8)?

1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8) is primarily used in organic synthesis as a precursor for pharmaceuticals, polymers, and sensors. Its cyclohexyl group makes it useful in the development of molecules with specific physical and chemical properties. Additionally, it can be used in the synthesis of semiconducting materials and electronic devices.

What precautions should be taken when handling 1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8)?

When handling 1-Bromo-4-cyclohexylbenzene (CAS: 25109-28-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed handling and storage instructions. Keep the compound away from heat and sparks, as it may release bromine vapor, which is toxic and reactive.