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117-78-2

117-78-2 Structure

117-78-2 Structure
IdentificationMore
[Name]

ANTHRAQUINONE-2-CARBOXYLIC ACID
[CAS]

117-78-2
[Synonyms]

2-ANTHRAQUINONECARBOXYLIC ACID
9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENECARBOXYLIC ACID
9,10-DIOXO-9,10-DIHYDRO-ANTHRACENE-2-CARBOXYLIC ACID
ANTHRAQUINONE-2-CARBOXYLIC ACID
9,10-dioxoanthracene-2-carboxylic acid
BETA-ANTHRAQUINONE CARBOXYLIC AID
9,10-anthraquinone 2-carboxylic acid
ANTHRAQUINONE-2-CARBOXYLATE
2-CARBOXYANTHRAQUINONE
9,10-Dihydro-9,10-dioxoanthracene-2-carboxylic acid
[EINECS(EC#)]

204-207-9
[Molecular Formula]

C15H8O4
[MDL Number]

MFCD00001231
[Molecular Weight]

252.22
[MOL File]

117-78-2.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

287-289 °C (lit.)
[Boiling point ]

355.4°C (rough estimate)
[density ]

1.469
[refractive index ]

1.4872 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in hot Acetic acid(almost transparency).
[form ]

powder to crystal
[pka]

pK1: 3.42 (20°C)
[color ]

White to Amber
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[InChI]

InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
[InChIKey]

ASDLSKCKYGVMAI-UHFFFAOYSA-N
[SMILES]

C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(O)=O
[CAS DataBase Reference]

117-78-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

9,10-Anthracenedione, 2-[bis(acetyloxy)methyl]--->9,10-Anthracenedione, 2-acetyl--->9,10-Anthracenedione, 2,2'-(1,2-ethanediyl)bis--->2-(HYDROXYMETHYL)ANTHRACENE-->2-METHYLANTHRACENE-->2-Ethylanthraquinone-->2-(4-Methylbenzoyl)benzoic acid-->2-Methyl anthraquinone-->Acetic anhydride-->Toluene
[Preparation Products]

2-ANTHRACENECARBOXYLIC ACID-->Anthracene-2-carboxylic acid methyl ester
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

Anthraquinone 2-carboxylic acid (AQ) as a novel electron shuttling mediator and attached electron relay for HRP. Efficient method for the generation of hydrogen peroxide by aerobic photooxidation of 2-propanol using anthraquinone-2-carboxylic acid and molecular oxygen is investigated.
[Synthesis]

Anthraquinone-2-carboxylic acid is prepared from 4'-methylbenzophenone- 2-carboxylic acid by oxidation with potassium permanganate and ring closure with 5 % oleum.
Spectrum DetailBack Directory
[Spectrum Detail]

ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)MS
ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)1HNMR
ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)13CNMR
ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)IR1
ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)IR2
ANTHRAQUINONE-2-CARBOXYLIC ACID(117-78-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

117-78-2(sigmaaldrich)
[TCI AMERICA]

Anthraquinone-2-carboxylic Acid,>99.0%(T)(117-78-2)
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