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| CAS No.: | 5468-75-7 |
|---|---|
| Name: | Permanent Yellow G |
| Molecular Structure: | |
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| Formula: | C34H30Cl2N6O4 |
| Molecular Weight: | 657.56 |
| Synonyms: | BenzidineYellow OT (6CI);Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-(9CI);AAOT Yellow;Benzidine Yellow AAOT;Benzidine YellowG;Benzidine Yellow OTYA 8055;C.I.21095;Diarylide Yellow AAOT;Hostaperm Yellow GT;Irgalite Yellow BR;Irgalite Yellow BRM;KET Yellow 404;Light Yellow JBV;Lionol Yellow GGR;Magruder YE 1400;No. 55 Conc. Pale Yellow SF;PermagenYellow;Permanent Yellow G;Pigmatex Yellow 2G;Pigment Fast Yellow GP;Pigment Yellow 2G; |
| EINECS: | 226-789-3 |
| Density: | 1.32 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 793.4 ºC at 760 mmHg |
| Flash Point: | 433.6 ºC |
| Solubility: | N/A |
| Appearance: | yellow powder with red glow |
| Hazard Symbols: | N/A |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | N/A |
| PSA: | 141.78000 |
| LogP: | 8.78320 |
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The C.I. Pigment yellow 14, with its CAS registry number 5468-75-7, has the IUPAC name of 2-[[2-chloro-4-[3-chloro-4-[[1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2-methylphenyl)-3-oxobutanamide. For being a kind of yellow powder with red glow, it is usually applied in the coloration of plastic and rubber and also in the polyurethane leather, high-grade ink and painting, with the product categories including Organics.
The characteristics of this chemical are as below: (1)ACD/LogP: 9.58; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.61; (4)ACD/LogD (pH 7.4): 6.08; (5)ACD/BCF (pH 5.5): 12069.06; (6)ACD/BCF (pH 7.4): 3585.45; (7)ACD/KOC (pH 5.5): 4169.37; (8)ACD/KOC (pH 7.4): 1238.63; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 124.2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 179.24 cm3; (15)Molar Volume: 497.1 cm3; (16)Polarizability: 71.05×10-24 cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 433.6 °C; (20)Enthalpy of Vaporization: 115.39 kJ/mol; (21)Boiling Point: 793.4 °C at 760 mmHg; (22)Vapour Pressure: 3.68E-25 mmHg at 25°C; (23)Exact Mass: 656.170559; (24)MonoIsotopic Mass: 656.170559; (25)Topological Polar Surface Area: 142; (26)Heavy Atom Count: 46; (27)Complexity: 1050.
When you are dealing with this chemical, you should be cautious. For this chemical is irritating to eyes, respiratory system and skin, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4C)Cl)Cl
(2)InChI: InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
(3)InChIKey: LQZFGPJGXVFSTR-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0690-0962, |
