2-Chloro-4-(trifluoromethyl)pyrimidine Chemical Properties

Boiling point:

60 °C10 mm Hg(lit.)

Density 

1.513 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.447(lit.)

Flash point:

120 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

solubility 

DMSO (Slightly), Methanol (Very Slightly)

pka

-3.98±0.20(Predicted)

form 

Liquid

color 

Clear colorless to light yellow

Specific Gravity

1.5130

InChI

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

InChIKey

FZRBTBCCMVNZBD-UHFFFAOYSA-N

SMILES

FC(F)(F)c1ccnc(Cl)n1

CAS DataBase Reference

33034-67-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36-37/39

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

3.2

PackingGroup 

III

HS Code 

29335990

Storage Class

3 - Flammable liquids

Hazard Classifications

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3

MSDS

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2-Chloro-4-(trifluoromethyl)pyrimidine Usage And Synthesis

Chemical Properties

Colourless Liquid

Uses

2-Chloro-4-(trifluoromethyl)pyrimidine may be used to investigate the effect of chemical substitutions on the interfacial interactions of pyrimidines with the phospholipid-mimic immobilized-artificial-membrane (IAM) chromatographic stationary phase. Monocyclic pyrimidine nucleic acid bases (nucleobases) were reported to behave differently from their bicyclic purine analogs.

General Description

2-Chloro-4-(trifluoromethyl)pyrimidine is a pyrimidine derivative. Its density and refractive index have been determined.

Synthesis

First, ethyl trifluoroacetoacetate and urea are refluxed for 4 hours in an ethanol-hydrochloric acid system, and the mixture is cooled to precipitate 2-hydroxy-4-(trifluoromethyl)pyrimidine (intermediate, with a purity of about 95%). Then the intermediate is mixed with phosphorus oxychloride (POCl₃) with 1 drop of DMF as a catalyst, and the reaction is carried out at 80-120 °C for 2-6 hours. After recovering the excess POCl₃, the reaction solution is quenched by pouring into ice water, followed by extraction with ethyl acetate, drying and vacuum distillation (collecting the fraction at 60 °C/10 mmHg) to obtain 2-chloro-4-(trifluoromethyl)pyrimidine, with an overall yield of about 70%.

2-Chloro-4-(trifluoromethyl)pyrimidine(33034-67-2)Related Product Information

• 2-Chloro-4-(trifluoromethyl)pyridine
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• Difluorochloromethane
• 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBONYL CHLORIDE
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• 4-CHLOROBENZYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
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• Methyl2-chloro-4-(trifluoromethyl)pyrimidine-5
• 6-Chloro-4-(trifluoromethyl)pyrimidine ,4-CHLORO-6-(TRIFLUOROMETHYL)PYRIMIDINE ,98%
• 2,4-dichloro-6-(trifluoromethyl)pyrimidine