5-(Trifluoromethyl)-2(1H)-pyrimidinone | CAS No. 83767-80-0

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

Basic Information

CAS Number

83767-80-0

Molecular Formula

C5H3F3N2O

Molecular Weight

164.09 g/mol

AD

Basic Physical Properties

Density

1.55±0.1 g/cm3 (20 ºC 760 Torr),

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

InChI

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

InChIKey

KUAWDIFZEBBSPW-UHFFFAOYSA-N

LogP

1.201

Topological Polar Surface Area

46.010000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

Synonyms & References

English

  • DTXSID30536600
  • 5-Trifluoromethylpyrimidin-2-one
  • 83767-80-0
  • 2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIMIDINE
  • CS-0264867
  • AB58634
  • Z1198277070
  • EN300-94953
  • 5-(trifluoromethyl)pyrimidin-2(1H)-one
  • AKOS006305553
  • LRHNKMCEVFTYGN-UHFFFAOYSA-N
  • 5-(trifluoromethyl)pyrimidin-2-ol
  • 2(1H)-Pyrimidinone, 5-(trifluoromethyl)-
  • 5-(TRIFLUOROMETHYL)-1H-PYRIMIDIN-2-ONE
  • 5-trifluoromethyl pyrimidin-2-one
  • 5-trifluoromethyl-pyrimidin-2-one
  • SCHEMBL2694870
  • AT12809
  • SCHEMBL10737492
  • 2(1H)-Pyrimidinone,5-(trifluoromethyl)-
  • 2-Hydroxy-5-(trifluoromethyl)pyrimidine
  • 5-(trifluoromethyl)-2-Pyrimidinone
  • 5-(Trifluoromethyl)-2(1H)-pyrimidinone
  • 5-(Trifluoromethyl)pyrimidin-2-ol

MDL Number

MFCD10696959

FAQ

What regulatory guidelines apply to 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0)?

5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) falls under the purview of various regulatory guidelines such as GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for hazardous communication. In Europe, it is regulated under REACH, the Registration, Evaluation, Authorisation and Restriction of Chemicals. FDA and EPA may also have specific requirements for its handling, use, and disposal in the United States.

Are there alternatives to 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) in synthesis?

Several alternatives to 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) can be used in synthesis, including trifluoromethyl-substituted pyrimidines or other pyrimidine derivatives. Common alternatives include 5-(Trifluoromethyl)pyrimidine and 5-bromopyrimidine, which offer similar functionalities and can be substituted based on the specific application requirements.

What is the market or research trend for 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0)?

The market for 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) is driven by its application in pharmaceuticals and agrochemicals due to its bioactivity. Research trends suggest increasing interest in its use as an intermediate in drug discovery and as a stabilizer in agricultural products. There is a growing focus on optimizing its production methods and exploring its potential in novel therapeutic areas.

How should waste containing 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) be handled?

Waste containing 5-(Trifluoromethyl)-2(1H)-pyrimidinone (CAS: 83767-80-0) should be collected in a sealed container and disposed of according to local regulations. Ideally, it should be incinerated or professionally disposed of using hazardous waste management services. Proper environmental protection measures, such as containment and neutralization, should be taken to prevent environmental contamination and ensure worker safety.

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