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6,12-Dibromochrysene

6,12-Dibromochrysene structure

CAS No:
131222-99-6
Formula:
C18H10Br2
Chemical Name:
6,12-Dibromochrysene
Synonyms:
6,12-Dibromochrysene;Dibromochrysene;6,12-DIBROMOCHRYSEN;Chrysene, 6,12-dibromo-
Categories:
Specialty Chemicals

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6,12-Dibromochrysene Basic Attributes

Molecular Weight：

386.08

Exact Mass：

383.914917

DSSTox ID：

DTXSID20391063

HScode：

29039990

Characteristics

PSA：

XLogP3：

7.1

Density：

1.722

Boiling Point：

526.8±23.0 °C(Predicted)

Flash Point：

315.3±21.9 °C

Refractive Index：

1.793

Safety Information

Precautionary statement(s)：

P264, P270, P273, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6,12-Dibromochrysene Use and Manufacturing

First, 15.16 g (66.4 mmol) of chrysene (Compound a-1) and 350 ml of carbon tetrachloride were loaded into a500-ml three-necked flask. While the mixture was stirred at room temperature, 21 g (131 mmol) of bromine were slowlydropped to the mixture over 100 minutes. The temperature of the reaction solution was increased, and then the reactionsolution was heat-refluxed for 3 hours. The reaction solution was cooled to room temperature, and the precipitatedcrystal was filtrated. The resultant crystal was recrystallized with a toluene solvent. As a result, 19.5 g of Compound a-2 (white crystal) were obtained (in 76.1percent yield).Tetrachloromethane (400 milliliter) and chrysene (15 g, 66 mmol) were placed into a flask and then, bromine / tetrachloromethane (10 milliliter, 0.19 mol /100 milliliter) was dripped slowly at the room temperature. While agitating the resultant solution intensely, it was refluxed for 5 hours. After the reacted solution was cooled, precipitated solids were separated by filtration and washed with methanol. Re-crystallization was carried out with the use of toluene, and as a result, Intermediate Product 31-1 was obtained. Measured value of 90MHz

Computed Properties

Molecular Weight:386.1
XLogP3:7.1
Exact Mass:385.91288
Monoisotopic Mass:383.91493
Heavy Atom Count:20
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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