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Tetrahydroxyquinone

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Name

Tetrahydroxyquinone

EINECS 206-275-5
CAS No. 319-89-1 Density 2.609 g/cm3
Solubility Melting Point
Formula C6H4O6 Boiling Point 370.6 °C at 760 mmHg
Molecular Weight 172.09 Flash Point 192.1 °C
Transport Information Appearance blue-black crystals
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 319-89-1 (2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrahydroxy-) Hazard Symbols IrritantXi
Synonyms

Quinone,tetrahydroxy- (4CI);p-Benzoquinone, 2,3,5,6-tetrahydroxy- (8CI);p-Benzoquinone, tetrahydroxy- (6CI,7CI);2,3,5,6-Tetrahydroxy-1,4-benzoquinone;2,3,5,6-Tetrahydroxy-2,5-cyclohexadiene-1,4-dione;2,3,5,6-Tetrahydroxy-p-benzoquinone;2,3,5,6-Tetrahydroxybenzoquinone;HPEK-1;Kelox;NSC 112931;THQ;Terasin;Tetrahydroxy-1,4-benzoquinone;Tetrahydroxy-p-benzoquinone;Tetrahydroxy-p-quinone;Tetrahydroxybenzoquinone;Tetrahydroxyparabenzoquinone;Tetrahydroxyquinone;Tetroquinone;

 

Tetrahydroxyquinone Specification

The Tetrahydroxyquinone, with the CAS registry number 319-89-1 and EINECS registry number 206-275-5, has the systematic name of 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione. It is a kind of blue-black crystals, and belongs to the following categories: Anthraquinones, Hydroquinones and Quinones. It is very stable, but incompatible with strong oxidizing agents or strong bases. The molecular formula of the chemical is C6H4O6.

The characteristics of Tetrahydroxyquinone as followings: (1)ACD/LogP: -2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.88; (4)ACD/LogD (pH 7.4): -8.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 2.023; (14)Molar Refractivity: 33.48 cm3; (15)Molar Volume: 65.9 cm3; (16)Polarizability: 13.27×10-24cm3; (17)Surface Tension: 321.9 dyne/cm; (18)Density: 2.609 g/cm3; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 71.45 kJ/mol; (21)Boiling Point: 370.6 °C at 760 mmHg; (22)Vapour Pressure: 5.3E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1C(/O)=C(/O)C(=O)C(\O)=C1\O
(2)InChI: InChI=1/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H
(3)InChIKey: DGQOCLATAPFASR-UHFFFAOYAF

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