ChemicalBook--->CAS DataBase List--->7598-10-9

7598-10-9

7598-10-9 Structure

7598-10-9 Structure
IdentificationBack Directory
[Name]

2-(BROMOMETHYL)ANTHRAQUINONE
[CAS]

7598-10-9
[Synonyms]

MAQ-BR
2-(BROMOMETHYL)ANTHRAQUINONE
2-Bromomethyl-anthraquinone 97%
2-(bromomethyl)anthracene-9,10-dione
9,10-Anthracenedione, 2-(bromomethyl)-
[Molecular Formula]

C15H9BrO2
[MDL Number]

MFCD00042958
[MOL File]

7598-10-9.mol
[Molecular Weight]

301.13
Chemical PropertiesBack Directory
[Melting point ]

203 °C (dec.) (lit.)
[Boiling point ]

470.8±34.0 °C(Predicted)
[density ]

1.597±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[BRN ]

2276854
[InChI]

1S/C15H9BrO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
[InChIKey]

FCETXLHFBYOVCV-UHFFFAOYSA-N
[SMILES]

BrCc1ccc2C(=O)c3ccccc3C(=O)c2c1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[F ]

8
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

2-(BROMOMETHYL)ANTHRAQUINONE(7598-10-9)IR
2-(BROMOMETHYL)ANTHRAQUINONE(7598-10-9)FT-IR
Hazard InformationBack Directory
[Purification Methods]

Recrystallise the quinone from AcOH, wash the crystals with a little Et2O, dry it in air and then in a vacuum at 100o. It is prepared by bromination of 2-methylanthraquinone with Br2/PhNO2 at 145-150o, or N-bromosuccinimide in CCl4 containing a trace of (PhCOO)2. [Beilstein 7 IV 2576.]
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