Chemical Properties of 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)- (CAS 101-38-2)

InChI

InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChI Key

YHUMTHWQGWPJOQ-UHFFFAOYSA-N

Formula

C6H2Cl3NO

SMILES

O=C1C(Cl)=CC(=NCl)C=C1Cl

Molecular Weight¹

210.44

CAS

101-38-2

Other Names

• 2,5-Cyclohexadien-1-one, 4-chloroimino-2,6-dichloro-
• 2,6-Dichloro-1,4-quinone-4-chlorimide
• 2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone
• 2,6-Dichloro-4-N-chloroquinonimine
• 2,6-Dichloro-p-benzoquinone-4-chlorimine
• 2,6-Dichlorobenzoquinone chloroimide
• 2,6-Dichloroquinone chloroimide
• 2,6-Dichloroquinone-4-chlorimide
• 2,6-Dichloroquinone-4-chloroimide
• 2,6-Dichloroquinone-4-chloroimine
• 2,6-Dichloroquinonechloroimine
• 4-Chloroimino-2,6-dichloro-2,5-cyclohexadiene-1-one
• Gibbs reagent
• Gibbs' reagent
• N,2,6-Trichloro-p-benzoquinone imine
• N,2,6-Trichloro-p-quinoneimine
• N,2,6-Trichlorobenzoquinone imine
• N-2,6-Trichloro-p-benzoquinonimine
• NSC 6293
• p-Benzoquinone imine, N,2,6-trichloro-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, Log10 of Water solubility in mol/l 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

Find more compounds similar to 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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