5-Bromo-2-(trifluoromethyl)pyrimidine

Basic Information

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CAS Number

799557-86-1

Molecular Formula

C5H2BrF3N2

Molecular Weight

226.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

41-42°

Boiling Point

139.8℃ at 760 mmHg

SMILES

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C1=C(C=NC(=N1)C(F)(F)F)Br

InChI

InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H

InChIKey

GIFDWXWNFKZVEI-UHFFFAOYSA-N

LogP

2.2579000000000002

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

130

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes 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

Pyrimidine, 5-bromo-2-(trifluoromethyl)-
5-Bromo-2-trifluoromethylpyrimidine
SY097014
AM20100790
SCHEMBL1169515
5-bromo-2-trifluoromethyl-pyrimidine
A847619
799557-86-1
FT-0648717
SB11335
Z729557174
5-Bromo-2-(trifluoromethyl)-pyrimidine
BD-0736
J-516860
AKOS005071890
5-bromo-2-(trifluoromethyl)pyrimidine
AC-23090
DTXSID60652827
AB51517
MFCD09754046
EN300-93808
CS-D0473
CL1908
5-Bromo-2-(trifluoromethyl)pyrimidine
bromotrifluoromethylpyrimidine
EBD7891
GIFDWXWNFKZVEI-UHFFFAOYSA-N
STL557563
BBL103753
2-(Trifluoromethyl)-5-bromopyrimidine
RP13070

MDL Number

MFCD09754046

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Bromo-2-(trifluoromethyl)pyrimidine (CAS: 799557-86-1)?

5-Bromo-2-(trifluoromethyl)pyrimidine is a white crystalline solid with a molecular weight of approximately 259.03 g/mol. It is slightly soluble in water and ethanol but more soluble in organic solvents like DMSO and acetonitrile. The compound exhibits moderate reactivity and is prone to nucleophilic substitution reactions due to the electron-withdrawing trifluoromethyl group.

How is 5-Bromo-2-(trifluoromethyl)pyrimidine (CAS: 799557-86-1) typically synthesized?

5-Bromo-2-(trifluoromethyl)pyrimidine can be synthesized by bromination of 2-(trifluoromethyl)pyrimidine using N-bromosuccinimide (NBS) as the brominating agent. The reaction is typically conducted in a chloroform solvent at room temperature, yielding a high yield of the desired product with good selectivity.

What industries use 5-Bromo-2-(trifluoromethyl)pyrimidine (CAS: 799557-86-1)?

5-Bromo-2-(trifluoromethyl)pyrimidine is primarily used in pharmaceutical research for its potential as an intermediate in drug synthesis. It is also utilized in polymer science for the development of functional materials, in sensor technology for detecting specific analytes, and in semiconductor manufacturing for its properties in organic electronics.

What precautions should be taken when handling 5-Bromo-2-(trifluoromethyl)pyrimidine (CAS: 799557-86-1)?

Proper handling of 5-Bromo-2-(trifluoromethyl)pyrimidine requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or within a fume hood to minimize exposure to vapors. In case of a spill, it should be wiped up with a suitable absorbent material and the area should be cleaned with water. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.