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75497-74-4

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Basic Information
CAS No.: 75497-74-4
Name: Disperse Blue 79:1
Article Data: 2
Molecular Structure:
Molecular Structure of 75497-74-4 (Disperse Blue 79:1)
Formula: N/A
Molecular Weight: 625.39
Synonyms: Dispersol Navy D-3GR;Tersetile Navy Blue FGL;4-(6-Bromo-2,4-dinitrophenylazo)-3-acetylamino-6-methoxy-N-bis(acetoxyethyl)aniline;Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-;Benzeneamine, 5-acetamino-4-((2,4-dinitro-6-bromophenyl)azo)-2-methoxy-N,N-bis((2-acetoxy)ethyl)-;Ccris 9086;Einecs 222-813-1
EINECS: 222-813-1
Density: 1.55 g/cm3
Melting Point: 149-151℃
Boiling Point: 796.7 ℃at 760 mmHg
Flash Point: 435.6 ℃
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    Molecule structure of Disperse Blue 79:1 (CAS NO.75497-74-4): IUPAC Name: 2-[5-Acetamido-N-(2-acetyloxyethyl)-4-(2-bromo-4,6-dinitrophenyl)diazenyl-2-methoxyanilino]ethyl acetate Molecular Weight: 625.3828 g/mol Molecular Formula: C23H25BrN6

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Chemistry

Molecule structure of Disperse Blue 79:1 (CAS NO.75497-74-4):

IUPAC Name: 2-[5-Acetamido-N-(2-acetyloxyethyl)-4-(2-bromo-4,6-dinitrophenyl)diazenyl-2-methoxyanilino]ethyl acetate 
Molecular Weight: 625.3828 g/mol
Molecular Formula: C23H25BrN6O10 
Density: 1.55 g/cm3 
Melting Point: 149-151 °C
Boiling Point: 796.7 °C at 760 mmHg 
Flash Point: 435.6 °C
Index of Refraction: 1.622
Molar Refractivity: 141.42 cm3
Molar Volume: 401.1 cm3 
Surface Tension: 57.6 dyne/cm 
Enthalpy of Vaporization: 115.86 kJ/mol
Vapour Pressure: 2.19E-25 mmHg at 25 °C
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 13
Rotatable Bond Count: 13
Tautomer Count: 4
Exact Mass: 624.081554
MonoIsotopic Mass: 624.081554
Topological Polar Surface Area: 205
Heavy Atom Count: 40
Canonical SMILES: CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C
InChI: InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)
InChIKey: JSRUDOBCTLPTFO-UHFFFAOYSA-N
EINECS: 222-813-1
Product Categories: Organics

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0529270,

Specification

 Disperse Blue 79:1 (CAS NO.75497-74-4) is also named as 3-(2,4-Dinitro-6-bromophenylazo)-4-acetamido-6-(N,N-
bis(acetoxyethyl)amino)anisole ; 4-(6-Bromo-2,4-dinitrophenylazo)-3-acetylamino-6-methoxy-N-bis(acetoxyethyl)aniline ; Benzeneamine, 5-acetamino-4-((2,4-dinitro-6-bromophenyl)azo)-2-methoxy-N,N-bis((2-acetoxy)ethyl)- ; C.I. Disperse Blue 79:1 ; CCRIS 9086 ; 2,2'-((5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate ; Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)- ; 3618-72-2 .