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disperse orange 13 (C.I. 26080) (15%) (6253-10-7)

Identification
Name:disperse orange 13 (C.I. 26080) (15%)
Synonyms:disperse orange 13 (C.I. 26080) (90%); Disperse Orange 13
CAS:6253-10-7
EINECS: 228-381-0
Molecular Formula: C22H16N4O
Molecular Weight: 352.39
InChI: InChI=1/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H/b25-23-,26-24-
Molecular Structure: (C22H16N4O) disperse orange 13 (C.I. 26080) (90%); Disperse Orange 13
Properties
Flash Point: 409.599°C
Boiling Point: 599.564°C at 760 mmHg
Density:1.221g/cm3
Refractive index:1.662
Appearance:powder
Specification:

The IUPAC Name of Disperse Orange 13 is 4-[(4-phenyldiazenylnaphthalen-1-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one. With the CAS registry number 6253-10-7, it is also named as Phenol, 4-((4-(phenylazo)-1-naphthalenyl)azo)-; Phenol, 4-(2-(4-(2-phenyldiazenyl)-1-naphthalenyl)diazenyl)-; p-((4-(Phenylazo)-1-naphthyl)azo)phenol. The product's categories are dyes and pigments and organics.

The Disperse Orange 13 is powder which is soluble in ethanol, propanol, benzene and fibrinolytic factors, and slightly soluble in carbon tetrachloride. It is not used for dyeing polyester and its blends, but also for dyeing of acetate fibers, triacetate fibers, nylon and acrylic. It is also used for dyeing of polyvinyl chloride fiber and coloring plastics.

The Disperse Orange 13 is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. This product can be obtained by the following method. After the aniline diazotization, coupling with 1-naphthylamine, then diazotization again, coupling with phenol again, and then filtering, grinding, drying and commercialization deal to get the product.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.96; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.661; (9)Molar Refractivity: 106.81 cm3; (10)Molar Volume: 288.6 cm3; (11)Polarizability: 42.34×10-24 cm3; (12)Surface Tension: 50.4 dyne/cm; (13)Enthalpy of Vaporization: 92.55 kJ/mol; (14)Vapour Pressure: 5.71E-15 mmHg at 25°C; (15)Rotatable Bond Count: 4; (16)Tautomer Count: 4; (17)Exact Mass: 352.132411; (18)MonoIsotopic Mass: 352.132411; (19)Topological Polar Surface Area: 66.2; (20)Heavy Atom Count: 27; (21)Complexity: 627.

People can use the following data to convert to the molecule structure. SMILES: Oc4ccc(N=Nc3ccc(N=Nc1ccccc1)c2ccccc23)cc4; InChI: InChI=1/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H. Disperse Orange 13 has many suppliers, such as Sunwell Chemicals Co., Ltd..

Flash Point: 409.599°C
Safety Data
Hazard Symbols Xi:Irritant