CAS No.106-34-3,Quinhydrone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	106-34-3
Name:	Quinhydrone
Article Data:	95

Formula:	C₆H₆O₂^.C₆H₄O₂
Molecular Weight:	218.209
Synonyms:	p-Benzoquinone-hydroquinone compound (1:1);2,5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1);p-Benzoquinone, compd. with hydroquinone (1:1);Green hydroquinone;benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione;Hydroquinone(HQ);2,5-Cyclohexadiene-1,4-dione compd. with 1,4-benzenediol (1:1);Hydroquinone, compd. with p-benzoquinone;p-Benzoquinhydrone;Chinhydron [Czech];p-Benzoquinone, compd. with hydroquinone;2,5-Cyclohexadiene-1,4-dione,compounds,compd. with 1,4-benzenediol (1:1);2, 5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1);
EINECS:	203-387-6
Density:	1.40
Melting Point:	167-172 °C(lit.)
Boiling Point:	286 °C at 760 mmHg
Flash Point:	141.6 °C
Solubility:	4 g/L (20 °C) in water
Appearance:	green crystalline powder
Hazard Symbols:	Xn, N
Risk Codes:	22-36/37/38-50
Safety:	26-36-61-37/39-29
Transport Information:	UN 2811 6.1/PG 3
PSA:	74.60000
LogP:	1.34840

Synthetic route

: 33802-06-1
di-tert-butyliminoxyl

: 4323-21-1
4-hydroxycyclohexa-2,5-dien-1-one

: 106-34-3
quinhydrone

Conditions

Conditions	Yield
at -30℃;	99%

: 108-95-2
phenol

: 106-34-3
quinhydrone

Conditions

Conditions	Yield
With hydroquinone; p-benzoquinone; copper(l) chloride In acetonitrile	94.1%
With mineral acid at 12 - 17℃; Oxydation;

: 105398-69-4
Cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester

: 106-51-4
p-benzoquinone

A: 3116-98-1
bicyclohexyl-3,6-diene-2,5-dione

B: 106-34-3
quinhydrone

C: 117749-44-7
3-cyclohexyl-2-(pyridine-2-thiyl)-1,4-benzoquinone

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h; Irradiation;	A 7% B n/a C 83%

...Expand

: 109276-74-6
(3,3-diphenylpropanoyloxy)-2-pyridinethione

: 106-51-4
p-benzoquinone

A: 34708-59-3
1-(1,4-Benzochinonyl)-2,2-diphenylethan

B: 106-34-3
quinhydrone

C: 117749-43-6
3-(2,2-diphenylethyl)-2-(pyridine-2-thiyl)-1,4-benzoquinone

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h; Irradiation;	A 7% B n/a C 80%

...Expand

: 91534-05-3
N-(3,3-diphenylpropionyloxy)-pyridine-2-thione

: 106-51-4
p-benzoquinone

A: 106-34-3
quinhydrone

B: 117749-41-4
2-(1-Benzyl-2-phenyl-ethyl)-[1,4]benzoquinone

C: 117749-45-8
3-(1,3-diphenylpropan-2-yl)-2-(pyridine-2-thiyl)-1,4-benzoquinone

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h; Irradiation;	A n/a B 10% C 78%

...Expand

: 89025-67-2
N-palmitoxy-2-pyridinethione

: 106-51-4
p-benzoquinone

A: 41427-22-9
2-n-Pentadecyl-1,4-benzoquinone

B: 106-34-3
quinhydrone

C: 117749-42-5
3-(1-pentadecyl)-2-(pyridine-2-thiyl)-1,4-benzoquinone

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.5h; Irradiation;	A 10% B n/a C 77%

...Expand

: 123-31-9
hydroquinone

: 106-34-3
quinhydrone

Conditions

Conditions	Yield
With at 50℃; for 1h; Irradiation; solid state;	64%
With sodium sulfate Oxydation;
With sulfuric acid at 0℃; Oxydation; unter Verwendung von Wechselstrom;

: 108-95-2
phenol

A: 106-34-3
quinhydrone

B: 106-51-4
p-benzoquinone

Conditions

Conditions	Yield
With 5,10,15,20-tetrakis(4-sulfophenyl)porphine; oxygen In water for 5h; Mechanism; Time; Solvent; Irradiation;	A n/a B 8.9%

: 2350-01-8
4-aminotriphenylamine

A: 6246-98-6, 73334-88-0, 73334-89-1
N,N'-diphenyl-1,4-phenylenediamine

B: 106-34-3
quinhydrone

Conditions

Conditions	Yield
With ethanol

: 488-73-3
(+)-proto-quercitol

A: 106-34-3
quinhydrone

B: 123-31-9
hydroquinone

C: 106-51-4
p-benzoquinone

Conditions

Conditions	Yield
at 280 - 290℃; im Vakuum;

...Expand

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

Quinhydrone(106-34-3) also can be called 2,5-Cyclohexadiene-1,4-dione compd with 1,4-benzenediol (1:1) and 1,4-Benzoquinone - 1,4-benzenediol (1:1). It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. In addition, Quinhydrone is moisture sensitive with air and light, and can be stable under normal temperature and pressure conditions. It is not compatible with strong oxidizing agents, and you must not take it with light, exposure to air, excess heat and incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.

Physical properties about Quinhydrone are: (1)ACD/LogP: 0.644; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5):1.82; (5)ACD/BCF (pH 7.4): 1.82; (6)ACD/KOC (pH 5.5): 53.40; (7)ACD/KOC (pH 7.4): 53.33; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 141.6 °C; (12)Enthalpy of Vaporization: 54.61 kJ/mol; (13)Boiling Point: 286 °C at 760 mmHg; (14)Vapour Pressure: 0.00157 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Avoid release to the environment. Refer to special instructions safety data sheet;
4. Wear suitable protective clothing and eye/face protection;
5. Do not empty into drains;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H;
(2)InChIKey=BDJXVNRFAQSMAA-UHFFFAOYSA-N;
(3)Smilesc1(ccc(O)cc1)O.C1(C=CC(=O)C=C1)=O

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LDLo	intraperitoneal	100mg/kg (100mg/kg)	Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
mouse	LDLo	subcutaneous	100mg/kg (100mg/kg)	Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
rat	LD50	intravenous	35mg/kg (35mg/kg)	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 348, 1949.
rat	LD50	oral	225mg/kg (225mg/kg)	Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 348, 1949.