2-(4-Bromo-1H-pyrazol-1-yl)pyridine

Basic Information

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CAS Number

77556-27-5

Molecular Formula

C8H6BrN3

Molecular Weight

224.06 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

Boiling Point

325.2±17.0℃ at 760 mmHg

SMILES

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C1=CC=NC(=C1)N2C=C(C=N2)Br

InChI

InChI=1S/C8H6BrN3/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H

InChIKey

FQTMKCJYDXTYMK-UHFFFAOYSA-N

LogP

2.0297999999999994

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

153

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

2-(4-Bromo-pyrazol-1-yl)-pyridine
AKOS010258969
2-(4-bromopyrazol-1-yl)pyridine
F2147-7834
CS-0060619
SCHEMBL3923413
2-(4-bromo-1h-pyrazol-1-yl)pyridine
DTXSID50463025
SY042900
AM20061503
AS-36546
FQTMKCJYDXTYMK-UHFFFAOYSA-N
MFCD09038035
EN300-220959
77556-27-5
A848497
2-(4bromo-1H-pyrazol-1-yl)pyridine
2-(4-Bromo-1H-pyrazol-1-yl)pyridine
2-(4-BROMO-PYRAZOL-1-YL)-PYRIDINE
Pyridine,2-(4-bromo-1H-pyrazol-1-yl)-
2-(4-bromo-1H-pyrazol-1-yl)pyridine

MDL Number

MFCD09038035

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(4-Bromo-1H-pyrazol-1-yl)pyridine (CAS: 77556-27-5)?

2-(4-Bromo-1H-pyrazol-1-yl)pyridine is a crystalline solid with a molecular weight of approximately 246.03 g/mol. It has low solubility in water but is soluble in organic solvents like DMF and DMSO. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.

How is 2-(4-Bromo-1H-pyrazol-1-yl)pyridine (CAS: 77556-27-5) typically synthesized?

2-(4-Bromo-1H-pyrazol-1-yl)pyridine is typically synthesized through a multi-step process involving bromination and coupling reactions. Common methods include the use of bromine in the presence of a base like sodium hydride followed by a coupling step with 2-pyridylamine. High yields and good selectivity can be achieved using appropriate conditions and catalysts.

What industries use 2-(4-Bromo-1H-pyrazol-1-yl)pyridine (CAS: 77556-27-5)?

2-(4-Bromo-1H-pyrazol-1-yl)pyridine is used in various industries, including pharmaceuticals for its potential as a drug candidate, and in organic synthesis as a versatile starting material. It is also used in polymer and sensor applications, where its functional groups enable its use in these areas.

What precautions should be taken when handling 2-(4-Bromo-1H-pyrazol-1-yl)pyridine (CAS: 77556-27-5)?

When handling 2-(4-Bromo-1H-pyrazol-1-yl)pyridine, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbents and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.