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???????? ??? ???
?? ??:
54-20-6
???:
????????
???(??):
????????;5-(?????????)???
???:
Trifluorothymine
???(??):
5-(TRIFLUOROMETHYL)URACIL;TRIFLUOROMETHYLURACIL;5-(trifluoroMethyl)pyriMidine-2,4-diol;5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;5-Trifluoromethyl;2,4-DIHYDROXY-5-TRIFLUOROMETHYL-1H-PYRIMIDINE;L 595725-0-1;TRIFLUOROTHYMINE;5-Trifluorothymine;Trifluorothymine 5-
CBNumber:
CB8684875
???:
C5H3F3N2O2
??? ??:
180.08
MOL ??:
54-20-6.mol
MSDS ??:
SDS

???????? ??

???
245-246 °C(lit.)
??
1.5484 (estimate)
?? ??
Sealed in dry,Store in freezer, under -20°C
???
???: ???50mg/mL, ??
??? ??
powder to crystal
?? ?? (pKa)
6.63±0.10(Predicted)
??
White to Orange to Green
???
???
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 ??????
54-20-6(CAS DataBase Reference)
NIST
2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi,T
?? ???? ?? 22-36/38-40-36/37/38-25
????? 24/25-36-26
????(UN No.) 2811
WGK ?? 3
RTECS ?? YR1750000
?? ?? ?? Irritant
?? ?? 6.1
????
HS ?? 29335990
?? LD50 intraperitoneal in mouse: 800mg/kg
????(GHS): GHS hazard pictograms
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H301 ??? ??? ?? ?? ?? - ?? ?? 3 ?? GHS hazard pictograms P264, P270, P301+P310, P321, P330,P405, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
0 0

???????? MSDS


Trifluoromethyluracil

???????? C??? ??, ??, ??

??? ??

White to faintly yellow crystalline powder

?? ??

Trifluorothymine (5-(Trifluoromethyl)uracil) is an application medicine intermediate widely. It may be used for the synthesis of the cancer therapy drug trifluridine and also can be used for the preparation of the 2, 4-dichloro-5-trifluoromethyluracil.

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