4-(Trifluoromethyl)-2(1H)-pyrimidinone

Basic Information

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CAS Number

104048-92-2

Molecular Formula

C5H3F3N2O

Molecular Weight

164.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

217.0 to 221.0 deg-C

Boiling Point

281.4±50.0 °C at 760 mmHg

Density

1.5500

Flash Point

124.0±30.1 °C

Refractive Index

1.484

SMILES

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

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)

InChIKey

WCEBFEVZTGLOHC-UHFFFAOYSA-N

LogP

0.7887000000000002

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

AWAOZFYAXFWYPZ-UHFFFAOYSA-N
AC-7379
J-509626
MFCD00192529
104048-92-2
4-(trifluoromethyl)pyrimidin-2-ol;4-(trifluoromethyl)pyrimidin-2(1H)-one
CS-D0799
BP-13153
SCHEMBL1967534
SY005948
Enamine_002404
2-Hydroxy-4-trifluoromethylpyrimidine
2(1H)-Pyrimidinone, 4-(trifluoromethyl)-
H1328
BCP21703
SB57740
Z56767356
4-(Trifluoromethyl)-2-pyrimidinol
DS-3137
AM20070690
FT-0642553
DS-1472
HMS1768P22
DTXSID20361286
4-(Trifluoromethyl)-2(1H)-pyrimidinone
2-Hydroxy-4-(trifluoromethyl)pyrimidine
4-(trifluoromethyl)pyrimidin-2-ol
HMS1400N06
6-(trifluoromethyl)-1H-pyrimidin-2-one
AKOS001012295
4-trifluoromethyl-2-hydroxypyrimidine

MDL Number

MFCD00192529

Customs Code

2933599090

FAQ

What is 4-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 104048-92-2)?

4-(Trifluoromethyl)-2(1H)-pyrimidinone is a chemical compound with the CAS number 104048-92-2. It is a white to off-white solid with the molecular formula C5H2F3N2O. This compound is highly polar and exhibits good solubility in water and organic solvents.

What are the main uses of 4-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 104048-92-2)?

4-(Trifluoromethyl)-2(1H)-pyrimidinone is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in research for its unique chemical properties and in the preparation of other organic compounds.

Is 4-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 104048-92-2) safe?

4-(Trifluoromethyl)-2(1H)-pyrimidinone is generally considered safe when handled with proper precautions. It is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Keep away from heat and open flames. Avoid contact with eyes and skin.

How should 4-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 104048-92-2) be stored?

4-(Trifluoromethyl)-2(1H)-pyrimidinone should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation. Store in a well-ventilated area and avoid contact with incompatible materials.