ChemicalBook--->CAS DataBase List--->553-97-9

553-97-9

553-97-9 Structure

553-97-9 Structure
IdentificationMore
[Name]

p-Toluquinone
[CAS]

553-97-9
[Synonyms]

2-METHYL-1,4-BENZOQUINONE
2-methyl-2,5-cyclohexadiene-1,4-dione
METHYL-1,4-BENZOQUINONE
METHYL-P-BENZOQUINONE
METHYL-P-QUINONE
P-TOLUQUINONE
TOLUQUINONE
1,4-Toluchinon
1,4-Toluquinone
2,5-Cyclohexadiene-1,4-dione, 2-methyl-
2-Methyl-1,4-benzochinon
2-Methyl-1,4-quinone
2-methyl-4-benzoquinone
2-Methylbenzo-1,4-quinone
2-Methylbenzoquinone
2-Methylbenzoquinone-1,4
2-methyl-p-benzoquinon
2-Methyl-p-benzoquinone
2-Methylquinone
4-dione,2-methyl-5-cyclohexadiene-1
[EINECS(EC#)]

209-056-2
[Molecular Formula]

C7H6O2
[MDL Number]

MFCD00001603
[Molecular Weight]

122.12
[MOL File]

553-97-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to brownish crystalline powder
[Melting point ]

66-67 °C(lit.)
[Boiling point ]

187.52°C (rough estimate)
[density ]

1.0800
[refractive index ]

1.5286 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Crystalline
[color ]

Yellowish green
[Water Solubility ]

insoluble
[BRN ]

471387
[CAS DataBase Reference]

553-97-9(CAS DataBase Reference)
[NIST Chemistry Reference]

p-Benzoquinone, 2-methyl-(553-97-9)
[EPA Substance Registry System]

553-97-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,T
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

DK6300000
[F ]

8
[TSCA ]

Yes
[HS Code ]

29146990
[Safety Profile]

Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

553-97-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

VITAMIN K4-->4-Bromo-3-methylphenol-->2-Methoxy-3-methylphenol-->2-Methyl-4-nitrophenol-->Ethyl ethoxyacetate-->p-Cresol-->disodium 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis(5-nitrobenzenesulphonate)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methyl-2,5-cyclohexadiene-1,4-dione(553-97-9).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow to brownish crystalline powder
[Uses]

Methyl-p-benzoquinone (MBQ) can be used as a coating that forms an interface between the electrode and lithium (Li) electrolyte for the fabrication of redox flow batteries. It can be reduced during positive electrospray ionization mass spectroscopy (ESI MS) and can be potentially used during corona discharge.
[Uses]

Methyl-p-benzoquinone imine is the products were the tetrahedral adducts. Synthesis of 2H-indazole-4,7-dione derivatives from3-phenylsydnone and p-toluquinone. A Michael addition of 2-methylcyclopentane-1,3-dione to various p-toluquinone imides exclusively afforded the sole products in a regiospecific manner.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 52, p. 5053, 1987 DOI: 10.1021/jo00231a048
Synthetic Communications, 7, p. 467, 1977 DOI: 10.1080/00397917708050782
[Purification Methods]

Crystallise p-toluoquinone from heptane or EtOH, dry rapidly (vacuum/P2O5) and stored in a vacuum. [Beilstein 7 IV 2088.]
Spectrum DetailBack Directory
[Spectrum Detail]

p-Toluquinone(553-97-9)MS
p-Toluquinone(553-97-9)1HNMR
p-Toluquinone(553-97-9)13CNMR
p-Toluquinone(553-97-9)IR1
p-Toluquinone(553-97-9)IR2
p-Toluquinone(553-97-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl-p-benzoquinone, 98%(553-97-9)
[Sigma Aldrich]

553-97-9(sigmaaldrich)
[TCI AMERICA]

p-Toluquinone,>99.0%(GC)(T)(553-97-9)
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