4-(4-Bromophenyl)piperidine

Basic Information

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CAS Number

80980-89-8

Molecular Formula

C11H14BrN

Molecular Weight

240.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

233-235 °C

Boiling Point

307.6℃ at 760 mmHg

Flash Point

139.9℃

SMILES

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C1CNCCC1C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2

InChIKey

ZKABWLFDCJKQRE-UHFFFAOYSA-N

LogP

2.9161

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

80980-89-8
Q-103056
SY015364
FT-0641792
4-(4'-bromophenyl)piperidine, AldrichCPR
DTXSID20373748
SCHEMBL181015
BB 0254931
EN300-116812
A9974
4-(4-bromophenyl)piperidine
4-(4'-Bromophenyl)piperidine;4-(4-Bromophenyl)piperidine
CS-W018679
ZKABWLFDCJKQRE-UHFFFAOYSA-N
4-(4-bromo-phenyl)-piperidine
Piperidine, 4-(4-bromophenyl)-
FS-1278
AB14852
AC-6296
4-(4'-bromophenyl)piperidine
4-(4-Bromophenyl)piperidine, AldrichCPR
MFCD03426370
AKOS012457839
4-(4-Bromophenyl)piperidine
4-(4'-Bromophenyl)piperidine
Piperidine,4-(4-bromophenyl)-
PubChem6854
KSC497Q7P
4-(4-Bromo-phenyl)piperidineHCl
STK503557
VP80162

MDL Number

MFCD03426370

FAQ

What are the physical and chemical properties of 4-(4-Bromophenyl)piperidine (CAS: 80980-89-8)?

4-(4-Bromophenyl)piperidine (CAS: 80980-89-8) is a crystalline solid with a molecular weight of approximately 248.03 g/mol. It has limited water solubility and is soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but can degrade upon prolonged exposure to heat or light.

How is 4-(4-Bromophenyl)piperidine (CAS: 80980-89-8) typically synthesized?

4-(4-Bromophenyl)piperidine (CAS: 80980-89-8) is synthesized via a multistep process involving bromination and subsequent piperidine coupling. The bromination step typically uses N-bromosuccinimide (NBS) in the presence of a radical initiator like dibenzoyl peroxide. The coupling is facilitated by a suitable amine base in an aprotic solvent like acetonitrile, with a high yield of up to 90%.

What industries use 4-(4-Bromophenyl)piperidine (CAS: 80980-89-8)?

4-(4-Bromophenyl)piperidine (CAS: 80980-89-8) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various piperidine-based drugs. It also finds applications in polymer synthesis for the development of advanced materials and in the production of chemical sensors for detecting specific compounds.

What precautions should be taken when handling 4-(4-Bromophenyl)piperidine (CAS: 80980-89-8)?

When handling 4-(4-Bromophenyl)piperidine (CAS: 80980-89-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with caution, using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed handling and disposal instructions.