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1,8-Dinitroanthraquinone

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Name

1,8-Dinitroanthraquinone

EINECS 204-943-0
CAS No. 129-39-5 Density 1.631 g/cm3
PSA 125.78000 LogP 3.32480
Solubility N/A Melting Point 318-322
Formula C14H6 N2 O6 Boiling Point 563.4 ºC at 760 mmHg
Molecular Weight 298.211 Flash Point 294 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 129-39-5 (1,8-Dinitroanthraquinone) Hazard Symbols N/A
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;

Article Data 15

1,8-Dinitroanthraquinone Synthetic route

82-35-9

1.5-dinitroanthraquinone

129-39-5

1,8-dinitroanthraquinone

Conditions
ConditionsYield
In 5,5-dimethyl-1,3-cyclohexadiene77%
59471-77-1

1-amino-8-nitro-anthraquinone

129-39-5

1,8-dinitroanthraquinone

Conditions
ConditionsYield
With peracetic acid

3-nitro-2-(2-nitro-benzoyl)-benzoic acid

129-39-5

1,8-dinitroanthraquinone

Conditions
ConditionsYield
With sulfuric acid; boric acid at 150℃;
84-65-1

9,10-phenanthrenequinone

A

82-34-8

1-nitroanthraquinone

B

82-35-9

1.5-dinitroanthraquinone

C

129-39-5

1,8-dinitroanthraquinone

Conditions
ConditionsYield
With phosphoric acid; sulfuric acid; nitric acid In tetrachloromethane at 55℃; for 0.5h; var. mole ratio of acids, var. temp. and time;
84-65-1

9,10-phenanthrenequinone

A

82-35-9

1.5-dinitroanthraquinone

B

129-39-5

1,8-dinitroanthraquinone

Conditions
ConditionsYield
With sulfuric acid; nitric acid multistep reaction; potentiometric studies of optimum reaction conditions;
With sulfuric acid; nitric acid Yield given. Yields of byproduct given;
With sulfuric acid; nitric acid 20 to 25 deg C; 3 h; Yield given. Yields of byproduct given;
84-65-1

9,10-phenanthrenequinone

HNO3+H2SO4

HNO3+H2SO4

A

82-35-9

1.5-dinitroanthraquinone

B

1604-43-9

1,7-dinitro-anthraquinone

C

129-39-5

1,8-dinitroanthraquinone

D

1604-40-6

2,6-dinitro-anthraquinone

Conditions
ConditionsYield
Product distribution;
7664-93-9

sulfuric acid

7697-37-2

nitric acid

84-65-1

9,10-phenanthrenequinone

A

82-35-9

1.5-dinitroanthraquinone

B

1604-43-9

1,7-dinitro-anthraquinone

C

129-39-5

1,8-dinitroanthraquinone

D

1604-42-8

1,6-dinitro-anthraquinone

Conditions
ConditionsYield
at 80℃;
84-65-1

9,10-phenanthrenequinone

HNO3+H2SO4

HNO3+H2SO4

A

82-35-9

1.5-dinitroanthraquinone

B

1604-43-9

1,7-dinitro-anthraquinone

C

129-39-5

1,8-dinitroanthraquinone

D

1604-42-8

1,6-dinitro-anthraquinone

Conditions
ConditionsYield
Product distribution;
84-65-1

9,10-phenanthrenequinone

HNO3+H2SO4

HNO3+H2SO4

A

1604-43-9

1,7-dinitro-anthraquinone

B

129-39-5

1,8-dinitroanthraquinone

C

1604-40-6

2,6-dinitro-anthraquinone

D

1604-42-8

1,6-dinitro-anthraquinone

82-34-8

1-nitroanthraquinone

7664-93-9

sulfuric acid

7697-37-2

nitric acid

A

82-35-9

1.5-dinitroanthraquinone

B

1604-43-9

1,7-dinitro-anthraquinone

C

129-39-5

1,8-dinitroanthraquinone

D

1604-42-8

1,6-dinitro-anthraquinone

Conditions
ConditionsYield
at 80℃;

1,8-Dinitroanthraquinone 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.
 

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