4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine

Basic Information

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CAS Number

91347-99-8

Molecular Formula

C11H12BrN

Molecular Weight

238.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

313.7°C at 760 mmHg

Density

1.367

Flash Point

143.5°C

Refractive Index

1.582

SMILES

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C1CNCC=C1C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2

InChIKey

FDRGGAPHXGEHPI-UHFFFAOYSA-N

LogP

2.825800000000001

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

192

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Pyridine, 4-(4-bromophenyl)-1,2,3,6-tetrahydro-
AB17685
CHEMBL2011569
SCHEMBL1199051
CS-0199797
91347-99-8
4-(4-Bromo-phenyl)-1,2,3,6-tetrahydro-pyridine
FDRGGAPHXGEHPI-UHFFFAOYSA-N
4-(4-Bromophenyl)-1,2,3,6-tetrahydro-pyridine
MFCD04113543
CHEMBL2021636
2-amino-1-(2-methoxy-phenyl)-ethanolhcl
AS-30420
AKOS000205167
DTXSID20594976
BB 0260591
4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine
FT-0760054
BDBM50379823
A843805
4-<4-Brom-phenyl>-1,2,3,6-tetrahydro-pyridin
Pyridine,4-(p-bromophenyl)-1,2,3,6-tetrahydro- (6CI,7CI)

MDL Number

MFCD04113543

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine (CAS: 91347-99-8)?

4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine is a white to off-white crystalline solid with a molecular weight of approximately 278.04 g/mol. It has limited water solubility and is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing basic properties due to the presence of a nitrogen-containing heterocycle. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and oxidizers.

How is 4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine (CAS: 91347-99-8) typically synthesized?

4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine is typically synthesized via a bromination reaction of 4-(4-pyridyl)butan-1-ol using N-bromosuccinimide (NBS) and a suitable organic solvent like dichloromethane. The reaction is catalyzed by a peroxide and proceeds under mild conditions. The process yields a mixture of stereoisomers, and purification is achieved through recrystallization or column chromatography.

What industries use 4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine (CAS: 91347-99-8)?

4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine is primarily used in the pharmaceutical industry for the synthesis of various drugs due to its structural properties. It is also used in the polymer industry for the development of novel materials and in the sensor industry for its ability to act as a chromophore. Additionally, it has applications in semiconductor manufacturing as an intermediate in the production of photoresists.

What precautions should be taken when handling 4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine (CAS: 91347-99-8)?

Proper personal protective equipment (PPE) should be worn when handling 4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridine, including gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to avoid inhalation or skin contact. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.