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6-(Trifluoromethyl)uracil

6-(Trifluoromethyl)uracil Structure
6-(Trifluoromethyl)uracil structure
CAS No.
672-45-7
Chemical Name:
6-(Trifluoromethyl)uracil
Synonyms
6-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;6-(Trifluoromethyl)uracil;6-(TRIFLUOROMETHYL)URACYL;6-(Trifluoromethyl)uracil 98%;6-(Trifluoromethyl)-2,4-pyrimidinediol;2,4-Dihydroxy-6-trifluoromethylpyrimidine;6-Trifluoromethyl-1H-pyrimidine-2,4-dione;6-(TRIFLUOROMETHYL)-2,4-(1H,3H)PYRIMIDINEDIONE;2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-;6-(trifluoromethyl)pyrimidine-2,4-diol,6-(Trifluoromethyl)uracil
CBNumber:
CB4457563
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.08
MDL Number:
MFCD01011762
MOL File:
672-45-7.mol
MSDS File:
SDS
Last updated:2026-09-12 18:52:50
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6-(Trifluoromethyl)uracil Properties

Melting point 230-235 °C (lit.)
Density 1.554±0.06 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka 4.70±0.10(Predicted)
form Powder
Appearance White to off-white Solid
InChI 1S/C5H3F3N2O2/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChIKey IROWWTVZNHKLLE-UHFFFAOYSA-N
SMILES FC(F)(F)C1=CC(=O)NC(=O)N1
CAS DataBase Reference 672-45-7(CAS DataBase Reference)
NIST Chemistry Reference Uracil, 6-(trifluoromethyl)-,(672-45-7)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
HazardClass  IRRITANT
HS Code  29335990
Storage Class 11 - Combustible Solids
NFPA 704
1
0 0

6-(Trifluoromethyl)uracil price More Price(55)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 546011 6-(Trifluoromethyl)uracil 97% 672-45-7 5g $187 2023-06-20 Buy
Usbiological 296074 2,4-Dihydroxy-6-trifluoromethylpyrimidine Asreported 672-45-7 250mg $403 2026-06-03 Buy
Usbiological 296074 2,4-Dihydroxy-6-trifluoromethylpyrimidine Asreported 672-45-7 500mg $616 2026-06-03 Buy
Usbiological 296074 2,4-Dihydroxy-6-trifluoromethylpyrimidine Asreported 672-45-7 1g $869 2026-06-03 Buy
Usbiological 230908 2,4-Dihydroxy-6-trifluoromethylpyrimidine 672-45-7 100mg $215 2026-06-03 Buy
Product number Packaging Price Buy
546011 5g $187 Buy
296074 250mg $403 Buy
296074 500mg $616 Buy
296074 1g $869 Buy
230908 100mg $215 Buy

6-(Trifluoromethyl)uracil Chemical Properties, Uses, Production

Uses

6-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is an anticancer drug, produced from catalytic trifluoromethylation of uracil.

Synthesis Reference(s)

The Journal of Organic Chemistry, 24, p. 113, 1959 DOI: 10.1021/jo01083a607

Synthesis

Ethyl 4,4,4-trifluoroacetoacetate

372-31-6

Urea

57-13-6

6-(TRIFLUOROMETHYL)URACIL

672-45-7

Ethyl 4,4,4-trifluoro-3-oxobutanoate (3 g, 16.30 mmol) was dissolved in ethanol (30 mL) under argon protection and urea (978 mg, 16.30 mmol) was added with stirring. Subsequently, freshly prepared sodium ethoxide solution (made by reacting 750 mg of sodium metal with 30 mL of anhydrous ethanol) was added to the reaction system. The reaction mixture was heated to 90 °C and the reaction was stirred at this temperature for 24 hours. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, volatile solvents were removed by distillation under reduced pressure, and the residue was diluted with water (25 mL), acidified with 1N hydrochloric acid (10 mL) to pH < 7, and then extracted with ethyl acetate (2 x 40 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the target product 6-(trifluoromethyl)uracil (650 mg, 22% yield) as a white solid. Thin layer chromatographic conditions: 5% methanol/dichloromethane (Rf=0.3).1H-NMR (DMSO-d6, 500MHz) data: δ 11.07 (s, 1H), 11.54 (s, 1H), 6.07 (s, 1H).

References

[1] Patent: WO2015/57945, 2015, A1. Location in patent: Paragraph 00121
[2] Journal of Organic Chemistry, 1959, vol. 24, p. 113
[3] Journal of the American Chemical Society, 1958, vol. 80, p. 5744,5751

6-(Trifluoromethyl)uracil synthesis

372-31-6
57-13-6
672-45-7
Synthesis of 6-(Trifluoromethyl)uracil from Ethyl 4,4,4-trifluoroacetoacetate and Urea

6-(Trifluoromethyl)uracil Preparation Products And Raw materials

Raw materials

[[1,4-Dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl]thio]-acetic acid 2-Methoxy-6-trifluoroMethyl-3H-pyriMidin-4-one 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine 2-Ethylthio-4-hydroxy-6-trifluoromethylpyrimidine 4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
METHYLISOCYANATE 1 X 500MG NEAT Urea Sodium ethoxide Ethyl 4,4,4-trifluoroacetoacetate Ethanol

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Preparation Products

2-Amino-4-chloro-6-trifluoromethyl-pyrimidine

6-(Trifluoromethyl)uracil Suppliers

Global Suppliers ( 173)
Supplier Tel Email Country ProdList Advantage
Creasyn Finechem(Tianjin) Co., Ltd. 022-83946278 13820372920 sales@creasyn.com China 977 68
Nanbu County Chengxin Technology Co., Ltd. 0838-5675166 15883665058 nbcxkj@126.com China 956 55
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44852 61
Capot Chemical Co., Ltd +86 (0) 571 85 58 67 18 China 18187 66
Beijing Ouhe Technology Co., Ltd 13552068683 13522913783 2355560935@qq.com China 11777 60
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. +86-21-54098501 sales@sinch.com.cn China 11592 64
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Chemsky（shanghai）International Co.,Ltd. 021-50135380 shchemsky@sina.com China 32273 50
Supplier Advantage
Creasyn Finechem(Tianjin) Co., Ltd. 68
Nanbu County Chengxin Technology Co., Ltd. 55
J & K SCIENTIFIC LTD. 76
Alfa Aesar 84
Energy Chemical 61
Capot Chemical Co., Ltd 66
Beijing Ouhe Technology Co., Ltd 60
Shanghai Sinch Parmaceuticals Tech. Co. Ltd. 64
Shanghai Hanhong Scientific Co.,Ltd. 64
Chemsky（shanghai）International Co.,Ltd. 50

View Latest Price from 6-(Trifluoromethyl)uracil manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
6-(Trifluoromethyl)Uracil pictures 2026-08-25 6-(Trifluoromethyl)Uracil
672-45-7
 $2.20-8.80 1kg 99% 100kg ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
6-(Trifluoromethyl)uracil pictures 2020-05-15 6-(Trifluoromethyl)uracil
672-45-7
 $1.00 1KG 99% 20T Shaanxi Dideu Medichem Co. Ltd
6-(TRIFLUOROMETHYL)URACIL pictures 2019-12-23 6-(TRIFLUOROMETHYL)URACIL
672-45-7
 $1.00 1KG 97%-99.9% 100kg Career Henan Chemical Co

6-(Trifluoromethyl)uracil Spectrum

6-(TRIFLUOROMETHYL)URACIL(672-45-7)1HNMR6-(TRIFLUOROMETHYL)URACIL(672-45-7)IR

672-45-7 (6-(Trifluoromethyl)uracil) Related Search:

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6-(TRIFLUOROMETHYL)URACYL 6-(TRIFLUOROMETHYL)-2,4-(1H,3H)PYRIMIDINEDIONE 2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)- 6-(Trifluoromethyl)-2,4-pyrimidinediol 6-Trifluoromethyl-1H-pyrimidine-2,4-dione 2,4-Dihydroxy-6-trifluoromethylpyrimidine 6-(trifluoromethyl)pyrimidine-2,4-diol,6-(Trifluoromethyl)uracil 6-(Trifluoromethyl)uracil 98% 6-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 6-(Trifluoromethyl)uracil 672-45-7 54-20-7 C5H3F3N2O2 Heterocyclic Building Blocks Pyrimidines Building Blocks Pyrimidine series Heterocyclic Compounds Building Blocks Heterocyclic Building Blocks Pyrimidines