ChemicalBook--->CAS DataBase List--->131222-99-6

131222-99-6

131222-99-6 Structure

131222-99-6 Structure
IdentificationBack Directory
[Name]

6,12-Dibromochrysene
[CAS]

131222-99-6
[Synonyms]

6,12-dibromo
Dibromochrysene
6,12-DIBROMOCHRYSEN
6,12-Dibromochrysene
Chrysene, 6,12-dibromo-
6,12-Dibromochrysene>
6,12-Dibromochrysene,99%
Tianfu Chem 6,12-Dibromochrysene
[Molecular Formula]

C18H10Br2
[MDL Number]

MFCD00092281
[MOL File]

131222-99-6.mol
[Molecular Weight]

386.08
Chemical PropertiesBack Directory
[Melting point ]

284 °C
[Boiling point ]

526.8±23.0 °C(Predicted)
[density ]

1.722
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Light yellow
[InChIKey]

RULVBMDEPWAFIN-UHFFFAOYSA-N
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H413
[Precautionary statements ]

P264-P270-P301+P312a-P330-P501a
[HS Code ]

29039990
Spectrum DetailBack Directory
[Spectrum Detail]

6,12-Dibromochrysene(131222-99-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Chrysene

218-01-9

6,12-Dibromochrysene

131222-99-6

First, 15.16 g (66.4 mmol) of 2-benzophenanthrene (compound a-1) and 350 mL of carbon tetrachloride were added to a 500 mL three-necked flask. While stirring the mixture at room temperature, 21 g (131 mmol) of bromine was slowly added dropwise over 100 min. Subsequently, the temperature of the reaction solution was raised and heated to reflux for 3 hours. Upon completion of the reaction, the reaction solution was cooled to room temperature and the precipitated crystals were collected by filtration. The resulting crystals were recrystallized using toluene as a solvent. Ultimately, 19.5 g of 6,12-dibromotropic acid (compound a-2, white crystals) was obtained in 76.1% yield.

[References]

[1] Chemical Science, 2014, vol. 5, # 4, p. 1506 - 1512
[2] Patent: EP2419391, 2014, B1. Location in patent: Paragraph 0134; 0135
[3] European Journal of Organic Chemistry, 1999, # 5, p. 1191 - 1200
[4] European Journal of Organic Chemistry, 2015, vol. 2015, # 5, p. 1033 - 1039
[5] Patent: EP1623968, 2006, A1. Location in patent: Page/Page column 36
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