Chemical Properties of 5-Chloro-2,4-dimethoxyphenyl isothiocyanate (CAS 40046-27-3)

5-Chloro-2,4-dimethoxyphenyl isothiocyanate

InChI
InChI=1S/C9H8ClNO2S/c1-12-8-4-9(13-2)7(11-5-14)3-6(8)10/h3-4H,1-2H3
InChI Key
BXJOFCAXBGIDIR-UHFFFAOYSA-N
Formula
C9H8ClNO2S
SMILES
COc1cc(OC)c(N=C=S)cc1Cl
Molecular Weight1
229.68
CAS
40046-27-3
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -4.34 Relay (1.0) Calculated Property
logPoct/wat 3.091 Crippen Calculated Property
McVol 155.620 ml/mol McGowan Calculated Property
Tfus 365.95 K Relay (1.0) Calculated Property

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.

Similar Compounds

5-Chloro-2,4-dimethoxyphenyl isocyanate. Chlomethoxyfen. Benzenamine, 4-chloro-2,5-dimethoxy-. 2-METHOXYPHENYL ISOTHIOCYANATE. 2-Methoxy-5-nitrophenylisothiocyanate. 2,5-Dimethoxyphenyl isothiocyanate. Benzene, 2-chloro-1-methoxy-4-nitro-. Naphtol-as-itr. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 2-chlorophenyl ester. Benzene, 1-ethoxy-2-isothiocyanato-. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2,4,6-trichlorophenyl ester. Glutaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, undecyl ester. (2-Methoxy-5-phenyl)phenylisothiocyanate. 2H-1,4-Benzoxazin-3(4H)-one. 2,5-Dimethyl-3'-chloro-4'-benzyloxyazobenzene.

Find more compounds similar to 5-Chloro-2,4-dimethoxyphenyl isothiocyanate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.