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9,10-Anthracenedione,1,8-dinitro- (129-39-5)

Identification
Name:9,10-Anthracenedione,1,8-dinitro-
Synonyms:Anthraquinone,1,8-dinitro- (6CI,7CI,8CI);1,8-Dinitro-9,10-anthraquinone;1,8-Dinitroanthraquinone;Alizarine Violet R Base;NSC 37108;Waxoline VioletBA;
CAS:129-39-5
EINECS: 204-943-0
Molecular Formula: C14H6 N2 O6
Molecular Weight: 298.21
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
Molecular Structure: (C14H6N2O6) Anthraquinone,1,8-dinitro- (6CI,7CI,8CI);1,8-Dinitro-9,10-anthraquinone;1,8-Dinitroanthraquinone;Ali...
Properties
Density:1.631 g/cm3
Refractive index:1.714
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 ×10-24cm ; (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.
 

Safety Data