Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- (CAS 54-20-6)

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

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InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChI Key
LMNPKIOZMGYQIU-UHFFFAOYSA-N
Formula
C5H3F3N2O2
SMILES
O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1
Molecular Weight1
180.08
CAS
54-20-6
Other Names
  • 1,2,3,4-Tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-
  • 5-(Trifluoromethyl)uracil
  • 5-Trifluoromethyl-1H-pyrimidine-2,4-dione
  • F3T
  • L 595725-0-1
  • TFT
  • Trifluorothymine
  • Uracil, 5-(trifluoromethyl)-
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Physical Properties

Property Value Unit Source
Δsub 110.80 ± 0.90 kJ/mol NIST
log10WS 0.14 Crippen Calculated Property
logPoct/wat -0.882 Crippen Calculated Property
McVol 94.560 ml/mol McGowan Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [182.20; 206.60] J/mol×K [298.15; 343.15] Show Hide
Cp,solid 182.20 J/mol×K 298.15 Heat Ca...
Cp,solid 183.90 J/mol×K 303.15 Heat Ca...
Cp,solid 188.10 J/mol×K 308.15 Heat Ca...
Cp,solid 190.30 J/mol×K 313.15 Heat Ca...
Cp,solid 192.20 J/mol×K 318.15 Heat Ca...
Cp,solid 195.90 J/mol×K 323.15 Heat Ca...
Cp,solid 198.20 J/mol×K 328.15 Heat Ca...
Cp,solid 199.40 J/mol×K 333.15 Heat Ca...
Cp,solid 204.40 J/mol×K 338.15 Heat Ca...
Cp,solid 206.60 J/mol×K 343.15 Heat Ca...
ΔsubH 108.50 ± 0.90 kJ/mol 382.50 NIST
Psub [1.17e-05; 6.45e-05] kPa [373.02; 392.01] Show Hide
Psub 1.19e-05 kPa 373.02 Vapor p...
Psub 1.17e-05 kPa 373.02 Vapor p...
Psub 1.38e-05 kPa 374.94 Vapor p...
Psub 2.01e-05 kPa 378.75 Vapor p...
Psub 2.42e-05 kPa 380.67 Vapor p...
Psub 2.88e-05 kPa 382.54 Vapor p...
Psub 3.35e-05 kPa 384.45 Vapor p...
Psub 3.98e-05 kPa 386.35 Vapor p...
Psub 4.61e-05 kPa 388.25 Vapor p...
Psub 5.59e-05 kPa 390.15 Vapor p...
Psub 6.40e-05 kPa 392.01 Vapor p...
Psub 6.45e-05 kPa 392.01 Vapor p...

Similar Compounds

Thymine. 2,4(1H,3H)-Pyrimidinedione, 5-chloro-. Urea, 1-methyl-1-nitroso-3-[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl-. Uracil. 2,4(1H,3H)-Pyrimidinedione, 5-amino-. Urea, 1-methyl-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. 2,4(1H,3H)-Pyrimidinedione, 5-nitro-. 2,4(1H,3H)-Pyrimidinedione, 5-bromo-. 5-Fluorouracil. 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-. Urea, 1-methyl-1-nitroso-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. 5-Iodouracil. 1-Methylthymine. Urea, 1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-. Uracil Mustard.

Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-.

Mixtures

Sources

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