CAS No.527-17-3,DUROQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	527-17-3
Name:	DUROQUINONE
Article Data:	115

Formula:	C10H12 O2
Molecular Weight:	164.204
Synonyms:	p-Benzoquinone,2,3,5,6-tetramethyl- (8CI); p-Benzoquinone, tetramethyl- (6CI); p-Benzoquinone,tetramethyl-, semiquinone (7CI); 2,3,5,6-Tetramethyl-1,4-benzoquinone;2,3,5,6-Tetramethyl-2,5-cyclohexadiene-1,4-dione;2,3,5,6-Tetramethyl-p-benzoquinone; 2,3,5,6-Tetramethylbenzoquinone;Duroquinone; NSC 2068; TMQ; Tetramethyl-1,4-benzoquinone; Tetramethyl-p-benzoquinone;Tetramethyl-p-quinone; Tetramethylbenzoquinone; Tetramethylquinone
EINECS:	208-409-8
Density:	1.039 g/cm³
Melting Point:	110-112 ºC(lit.)
Boiling Point:	230.1 ºC at 760 mmHg
Flash Point:	83.6 ºC
Appearance:	YELLOW POWDER
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	34.14000
LogP:	1.81100

Synthetic route

: 527-17-3, 70128-24-4
Duroquinone

: 34505-31-2
1,3-Dimethyl-2-nitro-benzene

A: 81-20-9
2,6-dimethylnitrobenzene

B: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

Conditions

Conditions	Yield
In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.;

...Expand

: 527-17-3, 70128-24-4
Duroquinone

: C36H46N4(2-)*Mg(2+)

A: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

B: C36H46N4(1-)*Mg(2+)

Conditions

Conditions	Yield
In ethanol; dichloromethane at -68.1℃; Rate constant; Irradiation; dependence of photoelectron transfer upon excitation wavelength; delay time;

...Expand

: 527-17-3, 70128-24-4
Duroquinone

: C96H134N10O2(2-)*Mg(2+)

A: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

B: C96H134N10O2(1-)*Mg(2+)

Conditions

Conditions	Yield
In ethanol; dichloromethane at -68.1℃; Rate constant; Irradiation; dependence of photoelectron transfer upon excitation wavelength; delay time;

...Expand

: 527-17-3, 70128-24-4
Duroquinone

: 2683-82-1
2,3,7,8,12,13,17,18-octaethyl-porphyrin

A: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

B: 2,3,7,8,12,13,17,18-octaethylporphyrin radical cation

Conditions

Conditions	Yield
In ethanol; dichloromethane at -68.1℃; Rate constant; Irradiation; dependence of photoelectron transfer upon excitation wavelength; delay time;

...Expand

: 2,3,5,6-Tetramethyl-[1,4]benzoquinone; compound with ethanol

A: 64-17-5
ethanol

B: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

Conditions

Conditions	Yield
In benzonitrile Equilibrium constant;

: 527-17-3, 70128-24-4
Duroquinone

: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 24℃; Kinetics; Further Variations:; Solvents; Irradiation;

: 64-17-5
ethanol

: 527-17-3
2,3,5,6-Tetramethyl-1,4-benzoquinone anion radical

: 2,3,5,6-Tetramethyl-[1,4]benzoquinone; compound with ethanol

Conditions

Conditions	Yield
In benzonitrile Equilibrium constant;

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Chemistry

Molecule structure of Tetramethyl-p-benzoquinone (CAS NO.527-17-3) :

IUPAC Name: 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
Molecular Weight: 164.20108 g/mol
Molecular Formula: C₁₀H₁₂O₂
Density: 1.039 g/cm³
Boiling Point: 230.1 °C at 760 mmHg
Flash Point: 83.6 °C
Index of Refraction: 1.493
Molar Refractivity: 45.95 cm³
Molar Volume: 157.9 cm³
Polarizability: 18.21×10^-24 cm³
Surface Tension: 30.6 dyne/cm
Enthalpy of Vaporization: 46.67 kJ/mol
Vapour Pressure: 0.0672 mmHg at 25 °C
XLogP3: 2.2
H-Bond Acceptor: 2
Tautomer Count: 8
Exact Mass: 164.08373
MonoIsotopic Mass: 164.08373
Topological Polar Surface Area: 34.1
Heavy Atom Count: 12
Complexity: 268
Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)C)C)C
InChI: InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey: WAMKWBHYPYBEJY-UHFFFAOYSA-N
EINECS: 208-409-8
Product Categories: Anthraquinones, Hydroquinones and Quinones; Benzoquinones

Uses

Tetramethyl-p-benzoquinone (CAS NO.527-17-3) is used in the formation of a "nanobrain" (16 duroquinone molecules surrounding a 17th in the middle).

Toxicity Data With Reference

1.		mic-esc 60 µLg/plate		MUREAV Mutation Research. 467 (2000),41.
2.		dnd-rat-lvr 400 µmol/L		CALEDQ Cancer Letters (Shannon, Ireland). 63 (1992),47.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: GU5410000

Specification

Tetramethyl-p-benzoquinone (CAS NO.527-17-3) is also called Duroquinone ; 2,3,5,6-Tetramethyl-1,4-benzoquinone ; 2,3,5,6-Tetramethyl-p-benzoquinone ; 2,3,5,6-Tetramethylbenzoquinone ; AI3-61045 ; CCRIS 2989 ; NSC 2068 ; Tetramethyl-1,4-benzoquinone ; Tetramethyl-p-quinone ; Tetramethylquinone ; p-Benzoquinone, 2,3,5,6-tetramethyl- ; p-Benzoquinone, tetramethyl- ; p-Benzoquinone, tetramethyl-, semiquinone ; 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl- . Tetramethyl-p-benzoquinone (CAS NO.527-17-3) is yellow powder.