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| CAS No.: | 3179-89-3 |
|---|---|
| Name: | DISPERSE RED 17 |
| Molecular Structure: | |
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| Formula: | C17H20N4O4 |
| Molecular Weight: | 344.37 |
| 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-[Bis(2-hydroxyethyl)amino]-2-methyl-4'-nitroazobenzene;Acetamine Red BE;Acetoquinone Light Red BZ;Amacel Red GG;CalcosynRed GG;Celliton Discharge Red GGL;Celliton Fast RedGGA-CF;Celliton Red GG;Cibacet Red 2G;Cilla Fast Red GG;Diacelliton Fast Red R;DiacellitonRed RF;Disperse Red 17;Eastone Red R;Interchem Acetate Red RN;Intrasperse Red YNB;Kayalon Fast Red R;Monocel Red GG;Nacelan Red AB;Ostacet Red P 2G;Perliton Red 3B;Serisol Fast Red 2RDX;Supracet Fast Red G; |
| EINECS: | 221-665-5 |
| Density: | 1.283 g/cm3 |
| Melting Point: | 160°C |
| Boiling Point: | 586.561 °C at 760 mmHg |
| Flash Point: | 308.541 °C |
| Solubility: | 619.9ug/L(25 oC) |
| Appearance: | Deep violet powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 114.24000 |
| LogP: | 3.63280 |
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- Total:36 Page 1 of 1 1
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Specification
The CAS registry number of Disperse Red 17 is 3179-89-3. The IUPAC name is 2,2'-({4-methyl-3-[(E)-(4-nitrophenyl)diazenyl]phenyl}imino)diethanol. Its EINECS registry number is 221-665-5. In addition, the molecula formula is C17H20N4O4 and the molecular weight is 344.36. It belongs to the class of Organics. And it is a kind of deep violet powder. What's more, it is soluble in ethanol and acetone.
Physical properties about this chemical are: (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)Density: 1.28 g/cm3; (19)Flash Point: 309.9 °C; (20)Enthalpy of Vaporization: 92.43 kJ/mol; (21)Boiling Point: 588.8 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-14 mmHg at 25°C.
Preparation and uses of Disperse Red 17: it can be prepared by p-nitroaniline and 3-methyl-N,N-dihydroxyethylanilino. At first, you should let p-nitroaniline diazotize, then coupled it with 3-methyl-N,N-dihydroxyethylanilino. It can be used in dyeing the printing of polyester fabric and its blending.
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