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Molecular Structure of Vat Red 10 (CAS No.2379-79-5):
Molecular Formula: C29H14N2O5
Molecular Weight: 470.4319
CAS No: 2379-79-5
H bond acceptors: 7
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 97.55 Å2
Index of Refraction: 1.776
Molar Refractivity: 128.14 cm3
Molar Volume: 306.3 cm3
Surface Tension: 81.2 dyne/cm
Density: 1.535 g/cm3
Flash Point: 413.4 °C
Enthalpy of Vaporization: 110.69 kJ/mol
Boiling Point: 759.9 °C at 760 mmHg
Vapour Pressure: 5.47E-23 mmHg at 25°C
IUPAC Name: 2-(1-Amino-9,10-dioxoanthracen-2-yl)naphtho[2,3-f][1,3]benzoxazole-5,10-dione
InChI: InChI=1/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2
InChIKey: RHEVAQGXLUQWBM-UHFFFAOYAR
Std. InChI: InChI=1S/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2
Std. InChIKey: RHEVAQGXLUQWBM-UHFFFAOYSA-N
Vat Red 10 (CAS No.2379-79-5), its synonyms are 2-(1-Amino-9,10-dioxo-9,10-dihydroanthracen-2-yl)anthra[2,3-d][1,3]oxazole-5,10-dione ; 2-(1-Aminoanthraquinon-2-yl)anthra(2,3-d)oxazole-5,10-dione ; Anthra(2,3-d)oxazole-5,10-dione, 2-(1-amino-9,10-dihydro-9,10-dioxo-2-anthracenyl)- ; 2-(1-Aminoanthraquinon-2-yl)anthra[2,3-d]oxazole-5,10-dione ; Ahcovat Red FBB ; Amanthrene Red FBB ; Amanthrene Supra Red FBB .