2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone

Basic Information

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CAS Number

1513-69-5

Molecular Formula

C5H4F3N3O

Molecular Weight

179.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

289.5-293.5 °C

Boiling Point

187 °C at 760 mmHg

Density

1.75

Flash Point

187 °C at 760 mmHg

SMILES

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C1=C(N=C(NC1=O)N)C(F)(F)F

InChI

InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)

InChIKey

ZEPSVMLZBXDPGU-UHFFFAOYSA-N

LogP

0.7832000000000001

Topological Polar Surface Area

72.03 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

278

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A24634
AKOS000320401
1513-69-5
CS-W017292
SY017770
2-Amino-6-(trifluoromethyl)-4-pyrimidinol;2-Amino-4-hydroxy-6-(trifluoromethyl)uracil
SCHEMBL21597387
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine, 97%
2-amino-6-(trifluoromethyl)-4(3H)-pyrimidinone
2-amino-4-hydroxy-6-(trifluoromethyl)-pyrimidine
CHEMBL1884050
4(1H)-Pyrimidinone, 2-amino-6-(trifluoromethyl)-
H10846
FS-1067
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine
J-508013
2-Amino-6-(trifluoromethyl)-4-pyrimidinol
2-amino-4-trifluoromethyl-6-pyrimidinol
SCHEMBL717588
AKOS009158635
SB57327
AC-25693
2-amino-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
MLS000850747
2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one
EN300-1461818
NSC33034
2-amino-6-(trifluoromethyl)pyrimidin-4-ol
2-Amino-6-(trifluoromethyl)-4-pyrimidinol #
HMS2783F17
HMS561O21

MDL Number

MFCD00068093

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5)?

2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements. It is advisable to consult the current versions of these guidelines for specific handling and disposal protocols.

Are there alternatives to 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) in synthesis?

In synthesis, 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) can be replaced by similar compounds like 2-Amino-4(1H)-pyrimidinone or other trifluoromethylated analogs. Common alternative reagents include trifluoromethylating agents like triflic anhydride or triflic chloride, which can be used to synthesize related compounds.

What is the market or research trend for 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5)?

The market trend for 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) is experiencing growth due to its potential in drug discovery and pharmaceutical applications. Research is focusing on its biological activity and therapeutic potential. Recent studies have shown increasing interest in its use as a starting material for synthesizing bioactive compounds.

How should waste containing 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) be handled?

Waste containing 2-Amino-6-(trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1513-69-5) should be collected in appropriate containers and disposed of via incineration or professional waste disposal services. Environmental precautions include ensuring the waste is neutralized before disposal to prevent environmental contamination. Compliance with local and national regulations is essential for safe waste handling.