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55805-81-7

55805-81-7 Structure

55805-81-7 Structure
IdentificationBack Directory
[Name]

9,10[1',2']-Benzenoanthracene, 2,3,6,7,14,15-hexabromo-9,10-dihydro-
[CAS]

55805-81-7
[Synonyms]

JACS-55805-81-7
2,3,6,7,14,15-hexabromotriptycene
2,3,6,7,12,13-Hexabromotriptycene
2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene
9,10[1',2']-Benzenoanthracene, 2,3,6,7,14,15-hexabromo-9,10-dihydro-
[Molecular Formula]

C20H8Br6
[MDL Number]

MFCD31700802
[MOL File]

55805-81-7.mol
[Molecular Weight]

727.71
Chemical PropertiesBack Directory
[Melting point ]

>350 °C(Solv: acetone (67-64-1))
[Boiling point ]

552.6±50.0 °C(Predicted)
[density ]

2.351±0.06 g/cm3(Predicted)
[InChI]

InChI=1S/C20H8Br6/c21-13-1-7-8(2-14(13)22)20-11-5-17(25)15(23)3-9(11)19(7)10-4-16(24)18(26)6-12(10)20/h1-6,19-20H
[InChIKey]

FXRWLRSFZAHEEL-UHFFFAOYSA-N
[SMILES]

BrC1=C(C=C2C3C4=CC(Br)=C(Br)C=C4C(C4=CC(Br)=C(Br)C=C43)C2=C1)Br
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene can be used as impurity standard and reference substance, mainly used in laboratory research and development process and chemical production process middle.
[Synthesis]


Triptycene (1.06 g, 4.18 mmol) was dissolved in chloroform (80 mL) in a round-bottom flask. Iron filings (30 mg) were added, and the solution was stirred at 25 °C. Bromine (1.35 mL, 26.3 mmol) was added, and the solution was refluxed for 1 h, during which time the initially reddish-brown solution turned reddish-orange. The flask was removed from heat, and chloroform and excess bromine were removed under vacuum. The resulting brown powder was dissolved in chloroform (100 mL) and flushed through a pad of silica using additional chloroform as eluent (100 mL). The filtrate was evaporated to dryness. The crude white powder (2.83 g, 98%) was crystallized from acetone yielding C20H8Br6 · (acetone)2 (0.88 g, 29%), mp >350 °C. The mother liquor was evaporated and the residue was crystallized from acetone to afford a second crop of crystals (0.97 g, C20H8Br6 · (acetone)2, 32%). The combined yield was 1.85 g, 61%: 2-H yield 2.83 g, 98% 
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,6,7,14,15-Hexabromo-9,10-dihydro-9,10-[1,2]benzenoanthracene(55805-81-7)1HNMR
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