Trifluorothymine

Modify Date: 2025-08-25 07:17:51

Trifluorothymine structure	Common Name	Trifluorothymine
	CAS Number	54-20-6	Molecular Weight	180.085
	Density	1.6±0.1 g/cm3	Boiling Point	350ºC
	Molecular Formula	C₅H₃F₃N₂O₂	Melting Point	245-246 °C(lit.)
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS06	Signal Word	Danger

Name	Trifluorothymine
Synonym	More Synonyms

Density	1.6±0.1 g/cm3
Boiling Point	350ºC
Melting Point	245-246 °C(lit.)
Molecular Formula	C₅H₃F₃N₂O₂
Molecular Weight	180.085
Exact Mass	180.014664
PSA	65.72000
LogP	0.04
Index of Refraction	1.428
Storage condition	−20°C
Water Solubility	INSOLUBLE

Trifluorothymine MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR1750000

CHEMICAL NAME :: Uracil, 5-(trifluoromethyl)-

CAS REGISTRY NUMBER :: 54-20-6

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H3-F3-N2-O2

MOLECULAR WEIGHT :: 180.10

WISWESSER LINE NOTATION :: T6MVMVJ EXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 24,1979,1964

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H315-H319-H335
Precautionary Statements	P261-P301 + P310-P305 + P351 + P338
Hazard Codes	Xi
Risk Phrases	R22
Safety Phrases	S24/25
RIDADR	2811.0
WGK Germany	3
RTECS	YR1750000
HS Code	2933599090

Precursor 8
CAS#:2314-97-8 Iodotrifluoromethane CAS#:66-22-8 Uracil CAS#:2926-29-6 Sodium trifluor... CAS#:2145-56-4 5-(TRIFLUOROMET...
CAS#:116393-64-7 1,3-bis(benzylo... CAS#:371-76-6 Bis[trifluorome... CAS#:7057-43-4 trimethyl-[5-(t... CAS#:57-13-6 Urea
DownStream 10
CAS#:105480-41-9 5-hydroxy-5-(tr... CAS#:3932-97-6 2,4-Dichloro-5-... CAS#:70-00-8 Trifluorothymidine CAS#:65-71-4 Thymine
CAS#:66-22-8 Uracil CAS#:25509-03-9 1-(oxolan-2-yl)... CAS#:16317-75-2 3-prop-2-enyl-5... CAS#:7057-43-4 trimethyl-[5-(t...
CAS#:78097-09-3 1-(2-HYDROXY-5-... CAS#:939791-38-5 PF-00562271

HS Code	2933599090
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent.

J. Mol. Model. 18(9) , 4453-64, (2012)

In the present work, the experimental and the theoretical vibrational spectra of trifluorothymine were investigated. The FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of trifluorothymi...

Quantitative 19F NMR study of trifluorothymidine metabolism in rat brain.

NMR Biomed. 12(6) , 373-80, (1999)

Metabolism of trifluorothymidine (TFT) and its transport across the blood-brain barrier (BBB) has been measured quantitatively in rats by fluorine-19 nuclear magnetic resonance spectroscopy ((19)F NMR...

Synthesis and in vitro activity of D- and L-enantiomers of 5-(trifluoromethyl)uracil nucleoside derivatives.

Nucleosides Nucleotides Nucleic Acids 20(4-7) , 1123-5, (2001)

Recently, beta-L-nucleoside analogues have emerged as a new class of sugar modified nucleosides with potential antiviral and/or antitumoral activity. As a part of our ongoing research on this topic, w...

5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

5-(trifluoromethyl)-1H-pyrimidine-2,4-dione

MFCD00006024

EINECS 200-197-5

5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

5-(Trifluoromethyl)uracil

5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Trifluorothymine
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5-(Trifluoromethyl)uracil
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Trifluorothymine,54-20-6
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Trifluorothymine
Price: ￥Inquiry/1kg ￥Inquiry/25kg ￥Inquiry/200kg
Purity: 99.0%
Delivery: 3 Day
Contact: Wang Jie
Email: 3096638339@qq.com

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Trifluorothymine

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