Chemical Properties of 2(1H)-Pyrimidinone, 5-bromo- (CAS 38353-06-9)

2(1H)-Pyrimidinone, 5-bromo-

InChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChI Key
VTUDATOSQGYWML-UHFFFAOYSA-N
Formula
C4H3BrN2O
SMILES
Oc1ncc(Br)cn1
Molecular Weight1
174.98
CAS
38353-06-9
Other Names
  • 5-Bromo-2(1H)-pyrimidinone
  • 5-Bromo-2-hydroxypyrimidine
  • 5-Bromo-2-pyrimidinol
  • 5-bromo-1H-pyrimidin-2-one
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Physical Properties

Property Value Unit Source
ω 0.5425 Relay (1.0) Calculated Property
ΔfG° 89.10 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -46.41 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.20 kJ/mol Relay (1.0) Calculated Property
IE 9.47 ± 0.05 eV NIST
log10WS -1.27 Relay (1.0) Calculated Property
logPoct/wat 0.945 Crippen Calculated Property
McVol 86.790 ml/mol McGowan Calculated Property
Pc 6628.45 kPa Relay (1.0-beta) Calculated Property
Tboil 522.72 K Relay (1.0) Calculated Property
Tc 808.00 K Relay (1.0) Calculated Property
Tfus 460.85 K Relay (1.0) Calculated Property
Vc 0.290 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2(1H)-Pyrimidinone. Pyrimidine, 5-bromo-. 4-Thiouracil. Pyrimidine, 2-methoxy-. 5-Chloro-2-methoxypyrimidine. Pyrimidine, 2-hydroxy, TMS. 5-Bromo-2,4-bis[(trimethylsilyl)oxy]pyrimidine. 2(1H)-Pyrimidinone, 4-amino-5-methyl-. 5-Iodocytosine. 2-Bromopyrimidine. 2,4-Dimethoxypyrimidine. Cytosine, trimethylsilyl ether. Pyrimidine, 2-chloro-. Pyrimidine, 2,4-bis[(trimethylsilyl)oxy]-. 2-Mercaptopyrimidine.

Find more compounds similar to 2(1H)-Pyrimidinone, 5-bromo-.

Sources

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