CAS No.319-89-1,Tetrahydroxyquinone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	319-89-1
Name:	Tetrahydroxyquinone
Article Data:	24
Cas Database

Formula:	C₆H₄O₆
Molecular Weight:	172.094
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;
EINECS:	206-275-5
Density:	2.609 g/cm³
Melting Point:	280°
Boiling Point:	370.6 °C at 760 mmHg
Flash Point:	192.1 °C
Appearance:	blue-black crystals
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	115.06000
LogP:	-0.20660

Synthetic route

: N,N'-dimethyltetrahydroxy-1,4-benzoquinonimine

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With hydrogenchloride; water Hydrolysis;	91%

: 118-76-3
rhodizonic acid

A: 319-89-1
tetrahydroxy-1,4-quinone

B: 19920-56-0
1-Benzyl-3-carbamoyl-pyridinium; hydroxide

Conditions

Conditions	Yield
With 1-Benzyl-1,4-dihydronicotinamide In water; acetonitrile Ambient temperature;	A 70% B n/a

: 15206-55-0
methyl 2-oxo-2-phenylacetate

A: 319-89-1
tetrahydroxy-1,4-quinone

B: 4358-87-6
(RS)-methyl mandelate

Conditions

Conditions	Yield
With benzenehexol In water; acetonitrile Product distribution; Mechanism; Ambient temperature; other reagents: tetrahydroxy-p-benzoquinone or rhodizonic acid;	A 37% B 40%

: 608-80-0
benzenehexol

A: 319-89-1
tetrahydroxy-1,4-quinone

B: 4358-87-6
(RS)-methyl mandelate

Conditions

Conditions	Yield
With methyl 2-oxo-2-phenylacetate In water; acetonitrile Ambient temperature;	A 37% B 40%

: 131543-46-9
Glyoxal

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With water; sodium hydrogencarbonate; sodium sulfite beim Leiten von Luft,zuletzt bei 80-90grad;
With magnesium hydroxide; water; sodium hydrogensulfite at 50℃; Reagens 4:Kaliumcyanid ;und Erhitzen des Reaktionsgemisches auf Siedetemperatur;

: 551-72-4, 643-12-9, 6917-35-7, 39907-99-8, 40461-73-2, 41546-32-1, 41546-33-2, 41546-34-3, 41546-35-4, 41546-36-5
inositol

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With nitric acid man dampft die Reaktionsloesung bis zur Trockne ein und erhitzt darauf erst mit Alkohol, dann mit Wasser;

: 87-89-8
D-myo-inositol

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With nitric acid

: 608-80-0
benzenehexol

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With air; sodium carbonate man zersetzt das entstandenen Natriumsalz durch Kochen mit verd.Salzsaeure;
With air; water
With air; ethanol

: 523-21-7
sodium rhodizonate dibasic

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
In water Mechanism; Irradiation; pH = 10.9;

: 118-76-3
rhodizonic acid

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With hydrogenchloride
Multi-step reaction with 2 steps 1: 1) 1-benzyl-1,4-dihydronicotinamide, 2) aq. HCl / 1) MeCN-H2O, room temp. 2: 37 percent / methyl benzoylformate / acetonitrile; H2O / Ambient temperature View Scheme

Raw Materials

87-89-8

608-80-0

523-21-7

15206-55-0

551-72-4

118-76-3

Downstream Products

70-55-3

608-80-0

527-31-1

488-86-8

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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