5-Bromo-2-pyrazol-1-yl-pyrimidine

Basic Information

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CAS Number

883230-94-2

Molecular Formula

C7H5BrN4

Molecular Weight

225.05 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

Boiling Point

402.2°C at 760 mmHg

SMILES

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C1=CN(N=C1)C2=NC=C(C=N2)Br

InChI

InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H

InChIKey

XQBZYQWGCLJVAF-UHFFFAOYSA-N

LogP

1.4247999999999996

Topological Polar Surface Area

43.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

146

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

5-Bromo-2-pyrazol-1-yl-pyrimidine
5-Bromo-2-(1H-pyrazol-1-yl)pyrimidine
5-bromo-2-pyrazol-1-ylpyrimidine
5-bromo-2-(pyrazol-1-yl)pyrimidine
XQBZYQWGCLJVAF-UHFFFAOYSA-N
AB41384
AB0027239
ST2418652
W9054
5-Bromo-2-(1H-pyrazol-1-yl)pyrimidine (ACI)
FS-2731
DB-077244
DS-0308
5-BROMO-2-(1H-PYRAZOL-1-YL)PYRIMIDINE
SCHEMBL2898655
MFCD07375184
CS-0041948
883230-94-2
AKOS013187931
DTXSID90672018

MDL Number

MFCD07375184

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Bromo-2-pyrazol-1-yl-pyrimidine (CAS: 883230-94-2)?

5-Bromo-2-pyrazol-1-yl-pyrimidine is a crystalline compound with a molecular weight of approximately 239.04 g/mol. It has a low solubility in water but is soluble in common organic solvents like DMF, DMSO, and DCM. This compound is relatively stable under normal conditions but can react with strong bases or oxidizing agents. It is commonly used as a precursor in organic synthesis and pharmaceutical applications.

How is 5-Bromo-2-pyrazol-1-yl-pyrimidine (CAS: 883230-94-2) typically synthesized?

5-Bromo-2-pyrazol-1-yl-pyrimidine is typically synthesized through a multistep reaction starting from 2-pyrazol-1-yl-pyrimidine. The bromination step is usually carried out using N-bromosuccinimide (NBS) in an appropriate solvent. The synthesis also involves the use of a catalyst and involves careful control of reaction conditions to achieve high selectivity and yield.

What industries use 5-Bromo-2-pyrazol-1-yl-pyrimidine (CAS: 883230-94-2)?

5-Bromo-2-pyrazol-1-yl-pyrimidine is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drug molecules. It is also utilized in the polymer industry for the development of new materials and in the electronics sector for the production of semiconductors and sensors.

What precautions should be taken when handling 5-Bromo-2-pyrazol-1-yl-pyrimidine (CAS: 883230-94-2)?

When handling 5-Bromo-2-pyrazol-1-yl-pyrimidine, ensure the use of personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation of fumes. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be properly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.