2-Chloro-5-(trifluoromethyl)pyrimidine

Basic Information

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CAS Number

69034-12-4

Molecular Formula

C5H2ClF3N2

Molecular Weight

182.53 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

48-52 °C

Boiling Point

222.1±35.0 ºC (760 Torr),

Density

1.504±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C5H2ClF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H

InChIKey

TYCYTQLXAIDJNF-UHFFFAOYSA-N

LogP

2.1487999999999996

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

130

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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 6.1 Class 6.1

Sensitiveness

Sensitive to humidity

Synonyms & References

English

EN300-104687
Pyrimidine, 2-chloro-5-(trifluoromethyl)- (9CI)
Z1255365587
2-chloranyl-5-(trifluoromethyl)pyrimidine
SCHEMBL485196
A836321
AC-29859
Pyrimidine, 2-chloro-5-(trifluoromethyl)-
BCP20070
2-Chloro-5-(trifluoromethyl)pyrimidine, 96%
PS-8523
CS-W008510
DTXSID80536599
2-chloro-5-(trifluoromethyl)-pyrimidine
MFCD09753482
FT-0649353
AKOS007930237
SY005527
H10948
CHEMBL5205619
2-Chloro-5-(trifluoromethyl)pyrimidine
Pyrimidine,2-chloro-5-(trifluoromethyl)-(9ci)
2-CHLORO-5-TRIFLUOROMETHYLPYRIMIDINE
2-Chloro-5-trifluoromethyl-pyrimidine
Pyrimidine,2-chloro-5-(trifluoromethyl)-
AMY6373
J-508804
69034-12-4
PC5409
PubChem21416
TYCYTQLXAIDJNF-UHFFFAOYSA-N

MDL Number

MFCD09753482

FAQ

What are the physical and chemical properties of 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4)?

2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4) is a crystalline solid with a molecular weight of approximately 213.02 g/mol. It has a high boiling point and low solubility in water, but is soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is highly reactive and can undergo various chemical transformations, such as nucleophilic substitution and electrophilic aromatic substitution.

How is 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4) typically synthesized?

2-Chloro-5-(trifluoromethyl)pyrimidine is typically synthesized via the reaction of 5-chloropyrimidine with trifluoroacetyl chloride in the presence of a base, such as triethylamine. The reaction is known to be highly selective and provides good yield. Various catalysts can be used to improve the reaction rate and selectivity.

What industries use 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4)?

2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and is also used in the preparation of polymers and functional materials for sensors and semiconductors.

What precautions should be taken when handling 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4)?

Handling 2-Chloro-5-(trifluoromethyl)pyrimidine (CAS: 69034-12-4) requires strict safety measures, including the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be neutralized with aqueous solutions before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.