5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione , 97% , 54-20-6

Synonym(s):
5-Trifluoromethyluracil

CAS NO.：54-20-6

Empirical Formula: C5H3F3N2O2

Molecular Weight: 180.08

MDL number: MFCD00006024

EINECS: 200-197-5

PRODUCT Properties

• Melting point: 245-246 °C(lit.)
• Density: 1.5484 (estimate)
• storage temp.: Sealed in dry,Store in freezer, under -20°C
• solubility: methanol: soluble50mg/mL, clear
• form: powder to crystal
• pka: 6.63±0.10(Predicted)
• color: White to Orange to Green
• Water Solubility: INSOLUBLE
• BRN: 612694
• InChI: InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
• InChIKey: LMNPKIOZMGYQIU-UHFFFAOYSA-N
• SMILES: C1(=O)NC=C(C(F)(F)F)C(=O)N1
• CAS DataBase Reference: 54-20-6(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)

Description and Uses

Trifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301-H315-H319-H335
• Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338
• target organs: Respiratory system
• Hazard Codes: Xi,T
• Risk Statements: 22-36/38-40-36/37/38-25
• Safety Statements: 24/25-36-26
• RIDADR: 2811
• WGK Germany: 3
• RTECS: YR1750000
• Hazard Note: Irritant
• HazardClass: 6.1
• PackingGroup: Ⅲ
• HS Code: 29335990
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 3 Oral; Eye Irrit. 2; Skin Irrit. 2; STOT SE 3
• Toxicity: LD50 intraperitoneal in mouse: 800mg/kg