2-Bromo-5-(trifluoromethyl)pyrimidine

Basic Information

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CAS Number

69034-09-9

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

Boiling Point

247.2±50.0 ºC (760 Torr),

Density

1.807±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

103.3±30.1 ºC,

SMILES

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

InChI

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

InChIKey

FEAGCADVLQYESC-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

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

DS-11980
C76181
DTXSID40604728
MFCD14702304
FT-0745285
69034-09-9
SY248388
CS-0101604
SCHEMBL11403140
AKOS023796311
Pyrimidine, 2-bromo-5-(trifluoromethyl)-
MB13635
A903107
TQP1259
2-bromo-5-(trifluoromethyl)pyrimidine
FEAGCADVLQYESC-UHFFFAOYSA-N
STL556886
BBL103076
FCH1328194
PC53065
AK313817

MDL Number

MFCD14702304

FAQ

What regulatory guidelines apply to 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9)?

2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid and requires appropriate safety data sheets (SDS). It falls under the European Union’s REACH regulations, which require registration for substances above 1 ton per year. The FDA and EPA may have specific requirements for handling and disposal, especially due to its hazardous nature.

Are there alternatives to 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9) in synthesis?

Alternative reagents such as 5-bromo-2-(trifluoromethyl)pyrimidine or other brominated and trifluoromethylated compounds can be used as alternatives in synthesis. These compounds offer similar functional groups but may have different reactivity and solubility properties, making them suitable for specific applications.

What is the market or research trend for 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9)?

The research trend for 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9) is focused on its use in pharmaceuticals and agrochemicals due to its unique chemical structure. Market demand is driven by its application in developing new drugs and pesticides. However, due to its hazardous nature, there is a growing emphasis on safer alternatives and green chemistry practices.

How should waste containing 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9) be handled?

Waste containing 2-Bromo-5-(trifluoromethyl)pyrimidine (CAS: 69034-09-9) should be collected in appropriate containers and disposed of via incineration or professional chemical waste disposal services. Environmental protection precautions include ensuring complete combustion and proper handling to avoid release into the environment. Compliance with local and international regulations is essential for safe disposal.