Molecular Structure of Disperse Red 5 (CAS No.3769-57-1):
Molecular Formula: C17H19ClN4O4
Molecular Weight: 378.8102
IUPAC Name: 2-[4-[(2-Chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CAS No: 3769-57-1
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 10
Polar Surface Area: 92.24 Å2
Index of Refraction: 1.62
Molar Refractivity: 97.63 cm3
Molar Volume: 277.7 cm3
Surface Tension: 53.9 dyne/cm
Density: 1.36 g/cm3
Flash Point: 322.8 °C
Enthalpy of Vaporization: 95.29 kJ/mol
Boiling Point: 610.2 °C at 760 mmHg
Vapour Pressure: 9.6E-16 mmHg at 25°C
InChI: InChI=1/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+
InChIKey: NBEXAEYARUBYDV-FMQUCBEEBT
Std. InChI: InChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+
Std. InChIKey: NBEXAEYARUBYDV-FMQUCBEESA-N
Synonyms of Disperse Red 5 (CAS No.3769-57-1): 2,2'-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bisethanol ; 4-(2-Chloro-4-nitrophenylazo)-3-methyl-N,N-bis(2-hydroxyethyl)aniline ; Ethanol, 2,2'-((4-((2-chloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-
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