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9,10-Anthracenedione, 1,4-dichloro-

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Name

9,10-Anthracenedione, 1,4-dichloro-

EINECS
CAS No. 602-25-5 Density 1.514 g/cm3
Solubility Melting Point 187-189 °C(lit.)
Formula C14H6Cl2O2 Boiling Point 455.2 °C at 760 mmHg
Molecular Weight 277.10 Flash Point 191.7 °C
Transport Information Appearance
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 602-25-5 (9,10-Anthracenedione,1,4-dichloro-) Hazard Symbols IrritantXi
Synonyms

Anthraquinone,1,4-dichloro- (6CI,7CI,8CI);1,4-Dichloro-9,10-anthracenedione;1,4-Dichloro-9,10-anthraquinone;1,4-Dichloroanthraquinone;

 

9,10-Anthracenedione, 1,4-dichloro- Specification

This chemical is called 9,10-Anthracenedione, 1,4-dichloro-, and its systematic name is 1,4-dichloroanthracene-9,10-dione. With the molecular formula of C14H6Cl2O2, its product categories are Intermediates of Dyes and Pigments; Anthraquinones; Chloroanthraquine, etc. The CAS registry number of this chemical is 602-25-5. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the 9,10-Anthracenedione, 1,4-dichloro- can be summarised as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1554.06; (6)ACD/BCF (pH 7.4): 1554.06; (7)ACD/KOC (pH 5.5): 6699.62; (8)ACD/KOC (pH 7.4): 6699.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 68.45 cm3; (15)Molar Volume: 182.9 cm3; (16)Polarizability: 27.13×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.514 g/cm3; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 71.49 kJ/mol; (21)Boiling Point: 455.2 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-08 mmHg at 25°C.

Production method of this chemical: The 9,10-Anthracenedione, 1,4-dichloro- could be obtained by the reactant of 9,10-dihydroxy-2,3-dihydro-anthracene-1,4-dione. This reaction needs the reagent of PCl5, and the solvent of 1,1,2,2-tetrachloro-ethane, pentan-1-ol. The yield is 39 %. In addition, this reaction should be taken at 135 °C.

Uses of this chemical: The 9,10-Anthracenedione, 1,4-dichloro- could react with 2-hydrazino-ethanol, and obtain the 5-chloro-2-(2-hydroxyethyl)anthra(1,9-cd)pyrazol-6(2H)-one. This reaction needs the solvent of pyridine. The yield is 73 %. In addition, this reaction should be taken for 19 hours at the temperature of 60 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c1ccccc1C(=O)c3c2c(Cl)ccc3Cl
2.InChI: InChI=1/C14H6Cl2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H
3.InChIKey: CAHGWVAXFJXDNI-UHFFFAOYAT

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