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Ethanol,2,2'-[[3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis- (3179-89-3)

Identification
Name:Ethanol,2,2'-[[3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-
Synonyms:C.I.Disperse Red 17 (7CI,8CI);Ethanol, 2,2'-[4-(p-nitrophenylazo)-m-tolylimino]di-(6CI);Ethanol, 2,2'-[[3-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bis- (9CI);3-Methyl-4-(4'-nitrophenylazo)-N,N-bis(2-hydroxyethyl)aniline;4-Nitro-4'-[bis(2-hydroxyethyl)amino]-2'-methylazobenzene;4-[Bis(2-hydroxyethyl)amino]-2-methyl-4'-nitroazobenzene;Acetamine Red BE;Acetoquinone Light Red BZ;Amacel Red AB;Amacel Red GG;C.I. 11210;CalcosynRed GG;Celliton Discharge Red GGL;Celliton Fast Red GG;Celliton Fast RedGGA-CF;Celliton Red GG;Celutate Red R;Cibacet Red 2G;Cibacete Red YNB;Cilla Fast Red GG;Diacelliton Fast Red R;Diacelliton Red R-M/D;DiacellitonRed RF;Disperse Red 17;Disperse Red R;Eastone Red R;Fenacet Fast Red 2G;Interchem Acetate Red RN;Interchem Hisperse Red RH;Intrasperse Red YNB;Kayalon Fast Red R;Miketon Fast Red R;Monocel Red GG;Nacelan Red AB;Nyloquinone Red BN;Ostacet Red P 2G;Palanil Red GG;Perliton Red 3B;RelitonGG;Serisol Fast Red 2RDX;Setacyl Red R;Supracet Fast Red G;Synten Red 2G;
CAS:3179-89-3
EINECS: 221-665-5
Molecular Formula: C17H20N4O4
Molecular Weight: 344.36
InChI: InChI=1/C17H20N4O4/c1-13-2-5-16(20(8-10-22)9-11-23)12-17(13)19-18-14-3-6-15(7-4-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3/b19-18+
Molecular Structure: (C17H20N4O4) C.I.Disperse Red 17 (7CI,8CI);Ethanol, 2,2'-[4-(p-nitrophenylazo)-m-tolylimino]di-(6CI);Ethanol, 2,2...
Properties
Flash Point: 588.8°C at 760mmHg
Boiling Point: 588.8°C at 760mmHg
Density:1.28g/cm3
Refractive index:1.609
Appearance:Deep violet powder
Specification:

The Disperse Red 17, with CAS registry number 3179-89-3, belongs to the following product category: Organics. It has the systematic name of 2,2'-({4-methyl-3-[(E)-(4-nitrophenyl)diazenyl]phenyl}imino)diethanol. And its IUPAC name is 2-[N-(2-hydroxyethyl)-4-methyl-3-[(4-nitrophenyl)diazenyl]anilino] ethanol. What's more, its is EINECS 221-665-5.

Physical properties of Disperse Red 17: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 171.3; (6)ACD/BCF (pH 7.4): 246.77; (7)ACD/KOC (pH 5.5): 1243.88; (8)ACD/KOC (pH 7.4): 1791.89; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 92.24 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 93.03 cm3; (15)Molar Volume: 268.4 cm3; (16)Polarizability: 36.88×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Enthalpy of Vaporization: 92.43 kJ/mol; (19)Vapour Pressure: 1.05E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(/N=N/c1cc(N(CCO)CCO)ccc1C)cc2
(2)InChI: InChI=1/C17H20N4O4/c1-13-2-5-16(20(8-10-22)9-11-23)12-17(13)19-18-14-3-6-15(7-4-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3/b19-18+
(3)InChIKey: ZGFGZIIGLDISMQ-VHEBQXMUBH
(4)Std. InChI: InChI=1S/C17H20N4O4/c1-13-2-5-16(20(8-10-22)9-11-23)12-17(13)19-18-14-3-6-15(7-4-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3/b19-18+
(5)Std. InChIKey: ZGFGZIIGLDISMQ-VHEBQXMUSA-N

Flash Point: 588.8°C at 760mmHg
Safety Data
 

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