Molecule structure of Disperse Brown 1 (CAS NO.23355-64-8):
IUPAC Name: 2-[3-Chloro-4-(2,6-dichloro-4-nitrophenyl)diazenyl-N-(2-hydroxyethyl)anilino]ethanol
Molecular Weight: 433.6737 g/mol
Molecular Formula: C16H15Cl3N4O4
Density: 1.54 g/cm3
Boiling Point: 647.5 °C at 760 mmHg
Flash Point: 345.4 °C
Index of Refraction: 1.648
Molar Refractivity: 102.41 cm3
Molar Volume: 281.1 cm3
Surface Tension: 59.1 dyne/cm
Enthalpy of Vaporization: 100.34 kJ/mol
Vapour Pressure: 1.19E-17 mmHg at 25 °C
XLogP3-AA: 4.2
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 7
Exact Mass: 432.015888
MonoIsotopic Mass: 432.015888
Topological Polar Surface Area: 112
Heavy Atom Count: 27
Canonical SMILES: C1=CC(=C(C=C1N(CCO)CCO)Cl)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI: InChI=1S/C16H15Cl3N4O4/c17-12-7-10(22(3-5-24)4-6-25)1-2-15(12)20-21-16-13(18)8-11(23(26)27)9-14(16)19/h1-2,7-9,24-25H,3-6H2
InChIKey: HXXLWTPFYWMBSC-UHFFFAOYSA-N
EINECS: 245-604-7
Product Categories: Organics
Disperse Brown 1 (CAS NO.23355-64-8) is used for dyeing and printing of polyester and blended fabric.
Disperse Brown 1 (CAS NO.23355-64-8) is also named as 2,2'-((3-Chlorol-4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)imino)- bisethanol ; CI 11152 ; Ethanol, 2,2'-((3-chloro-4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)imino)b- is- ; 2,2'-((3-Chloro-4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)bisethanol ; C.I. Disperse Brown 1 ; CCRIS 897 . Disperse Brown 1 (CAS NO.23355-64-8) is darker brown powder.
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