Chemical Properties of 1-Amino-2-bromo-4-p-toluidinoanthraquinone (CAS 128-83-6)

InChI

InChI=1S/C21H15BrN2O2/c1-11-6-8-12(9-7-11)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3

InChI Key

SPDRRRCQUXHHLH-UHFFFAOYSA-N

Formula

C21H15BrN2O2

SMILES

Cc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

Molecular Weight¹

407.26

CAS

128-83-6

Other Names

• 1-Amino-2-bromo-4-[(4-methylphenyl)amino]-9,10-anthraquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.03; 845.10]	J/mol×K	[1121.64; 1407.96]
Cp,gas	809.03	J/mol×K	1121.64	Joback Calculated Property
Cp,gas	817.80	J/mol×K	1169.36	Joback Calculated Property
Cp,gas	825.33	J/mol×K	1217.08	Joback Calculated Property
Cp,gas	831.73	J/mol×K	1264.80	Joback Calculated Property
Cp,gas	837.09	J/mol×K	1312.52	Joback Calculated Property
Cp,gas	841.51	J/mol×K	1360.24	Joback Calculated Property
Cp,gas	845.10	J/mol×K	1407.96	Joback Calculated Property
ΔsubH	167.00 ± 6.00	kJ/mol	428.00	NIST

Similar Compounds

Find more compounds similar to 1-Amino-2-bromo-4-p-toluidinoanthraquinone.

Sources

• Cheméo Relay (1.0)
• 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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