Chemical Properties of 6-Chlorouracil (CAS 4270-27-3)

6-Chlorouracil

InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChI Key
PKUFNWPSFCOSLU-UHFFFAOYSA-N
Formula
C4H3ClN2O2
SMILES
O=c1cc(Cl)[nH]c(=O)[nH]1
Molecular Weight1
146.53
CAS
4270-27-3
Other Names
  • 2,4(1H,3H)-Pyrimidinedione, 6-chloro-
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Physical Properties

Property Value Unit Source
ω 0.5167 Relay (1.0) Calculated Property
Δf -104.76 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -308.59 kJ/mol Relay (1.0) Calculated Property
Δsub 135.20 ± 2.00 kJ/mol NIST
Δvap 101.40 kJ/mol Relay (1.0) Calculated Property
IE 9.14 eV Relay (1.0) Calculated Property
log10WS -1.32 Relay (1.0) Calculated Property
logPoct/wat -1.247 Crippen Calculated Property
McVol 87.400 ml/mol McGowan Calculated Property
Pc 5837.12 kPa Relay (1.0-beta) Calculated Property
Tboil 567.11 K Relay (1.0) Calculated Property
Tc 806.21 K Relay (1.0) Calculated Property
Tfus 496.53 K Relay (1.0) Calculated Property
Vc 0.308 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 134.30 kJ/mol 386.50 NIST

Similar Compounds

2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-. 1-Methyl-6-chlorouracil. Uracil. 4-Amino-2,6-dihydroxypyrimidine. Orotic acid. 6-Methyluracil. 2,4(1H,3H)-Pyrimidinedione, 6-phenyl-. 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-. Uracil, 1-methyl-. 2,4(1H,3H)-Pyrimidinedione, 5-chloro-. 5-Iodouracil. Thymine. Lumazine. 6-Chloro-2,4-dihydroxy-1,3-dimethylpyrimidine. Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione.

Find more compounds similar to 6-Chlorouracil.

Sources

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