Chemical Properties of Phosalone

Phosalone

InChI
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChI Key
IOUNQDKNJZEDEP-UHFFFAOYSA-N
Formula
C12H15ClNO4PS2
SMILES
CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21
Molecular Weight1
367.82
Other Names
  • 11974 RP
  • 3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone
  • 6-Chloro-3-[O,O-(diethyldithiophosphoryl)methyl]benzoxazolone
  • 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
  • Agria 1060
  • Azofene
  • Benzophosphate
  • Chipman 11974
  • ENT 27163
  • Fosalon
  • Fosalone
  • Fozalon
  • NIA 9241
  • O,O-Diethyl phosphorodithioate S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
  • P 974
  • Phasolon
  • Phosalon
  • Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
  • Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
  • Phozalon
  • RP 11974
  • Rhodia RP 11974
  • Rubitox
  • S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate
  • S-6-chloro-2,3-dihydro-2-oxobenzoxazol-3-ylmethyl O,O-diethylphosphorodithioate
  • S-[(6-Chloro-2-oxo-3(2H)-benzoxazoly)methyl] O,O-diethyl phosphorodithioate
  • Zolone
  • Zolone PM
  • Zoolon
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Physical Properties

Property Value Unit Source
log10WS [-5.23; -5.23]   Show Hide
log10WS -5.23 Aq. Solubility Prediction
log10WS -5.23 Estimated Solubility
logPoct/wat 4.236 Crippen Calculated Property
McVol 239.880 ml/mol McGowan Calculated Property
Inp [2461.00; 2537.00]   Show Hide
Inp 2480.00 NIST
Inp 2480.00 NIST
Inp 2461.00 NIST
Inp 2476.00 NIST
Inp 2537.00 NIST
Inp 2488.00 NIST
Inp 2537.00 NIST
Inp 2537.00 NIST
Inp 2476.00 NIST
Tfus [320.90; 321.90] K Show Hide
Tfus 320.90 K Aq. Solubility Prediction
Tfus 321.56 ± 0.20 K NIST
Tfus 321.90 ± 0.10 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 30.03 kJ/mol 320.00 NIST

Similar Compounds

5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. Cialis. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Tazettine. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. N-Desmethylmirtazapine. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS. AJMALINE, M(NOR-), AC. Xanthine riboside, TMS. CODEIN-PROPIONYL. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Dehydrojaconine. DIHYDROERGOKRYPTINE. Neopine.

Find more compounds similar to Phosalone.

Sources

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