The Kayalon fast yellow yl with CAS registry number of 5124-25-4 belongs to the classes of Dyes and Pigments; Organics. The IUPAC name is 3-nitro-N-phenyl-4-(phenylamino)benzenesulfonamide. Its EINECS registry number is 225-862-7. In addition, the formula is C18H15N3O4S and the molecular weight is 369.3944. What's more, it is a kind of brown powder and it can dissolve in ethanol, acetone and benzene. It become yellowish brown when dissolve in sulfuric acid, then become yellow precipitate after dilution.
Physical properties about Kayalon fast yellow yl are: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 3442.4; (6)ACD/BCF (pH 7.4): 3161.16; (7)ACD/KOC (pH 5.5): 11834.22; (8)ACD/KOC (pH 7.4): 10867.36; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 94.82 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 98.32 cm3; (15)Molar Volume: 256.4 cm3; (16)Polarizability: 38.97 ×10-24cm3; (17)Surface Tension: 70.3 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 285.3 °C; (20)Enthalpy of Vaporization: 82.76 kJ/mol; (21)Boiling Point: 548.1 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-12 mmHg at 25°C.
Preparation of Kayalon fast yellow yl: The main raw materials are o-nitrochlorobenzene, aniline and chlorosulfonic acid. At first, o-nitrochlorobenzene react with chlorosulfonic acid at temperature of 105-110 °C for 6 hours. Then you should quickly pour the product into water (water temperature is 0-5 °C) and stir 30 minutes under 25 °C. So that you can get a paste product. At last, let the paste product recat with aniline at the reaction temperature of 100 °C for 8 hours by stirring. This reaction will need reagent H2O and CaCO3.
Uses of Kayalon fast yellow yl: it can used to dye polyester yarn-dyed yarn and polyester knitted fabric. It also can direct print polyester fabric and polyester (sticky) blends, but can not stain cotton and viscose fiber.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2ccc(Nc1ccccc1)c(c2)[N+]([O-])=O)Nc3ccccc3
(2)InChI: InChI=1/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H
(3)InChIKey: BBFRYSKTTHYWQZ-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 4850mg/kg (4850mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983. |
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