Specification: |
1,8-DINITROANTHRAQUINONE , with the CAS register number 129-39-5, has the systematic name of 1,8-dinitroanthracene-9,10-dione. And it has other names such as 1,8-dinitro-10-anthracenedione ,1,8-Dinitro-9,10-anthracenedione ,10-Anthracenedione,1,8-dinitro-9;1,8-DINITROANTHRAQUINONE ,1,8-dinitroanthracene-9,10-dione ,1,8-DINITRO ANTHRAQUINONE 97% MIN , and 1,8-Dinitro-9,10-anthraquinone .
The characteristics of this chemical are as below: (1)ACD/LogP: 3.04 ; (2)ACD/LogD (pH 5.5): 3.04 ; (3)ACD/LogD (pH 7.4): 3.04 ; (4)ACD/BCF (pH 5.5): 121.26 ; (5)ACD/BCF (pH 7.4): 121.26 ; (6)ACD/KOC (pH 5.5): 1079.26 ; (7)ACD/KOC (pH 7.4): 1079.26 ; (8)#H bond acceptors: 8 ; (9)#Freely Rotating Bonds: 2 ; (10)Polar Surface Area: 125.78; (11)Index of Refraction: 1.714 ; (12)Molar Refractivity: 71.75 cm3 ; (13)Molar Volume: 182.7 cm3 ; (14)Polarizability: 28.44 ×10-24cm3 ; (15)Surface Tension: 81.4 dyne/cm ; (16)Density: 1.631 g/cm3 ; (17)Flash Point: 294 °C ; (18)Enthalpy of Vaporization: 84.67 kJ/mol ; (19)Boiling Point: 563.4 °C at 760 mmHg ; (20)Vapour Pressure: 1.02E-12 mmHg at 25°C .
1,8-DINITROANTHRAQUINONE belongs to the product categories of Intermediates of Dyes and Pigments ,C13 to C14 ,Carbonyl Compounds , and Ketones . When it comes to raw materials, we need to list the following: SULFURIC ACID ,Sodium sulfite , Anthraquinone , and 1 5-DINITROANTHRAQUINONE 97 . And its preparation products is Disperse Blue 56 . Besides, if you need the safety information, you could refer to WGK Germany 3.
Additionally, you could convert the following data information into the molecular structure:
SMILES:
[O-][N+](=O)c3cccc2C(=O)c1cccc(c1C(=O)c23)[N+]([O-])=O
InChI:
InChI=1/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
InChIKey:
MBIJFIUDKPXMAV-UHFFFAOYAM
As to the market condition of 1,8-DINITROANTHRAQUINONE , it has many suppliers in China, such as Sunwell Chemicals Co., Ltd.
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