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1,3,6,8-Tetrabromopyrene

1,3,6,8-Tetrabromopyrene structure

CAS No:
128-63-2
Formula:
C16H6Br4
Chemical Name:
1,3,6,8-Tetrabromopyrene
Synonyms:
Pyrene,1,3,6,8-tetrabromo-;1,3,6,8-Tetrabromopyrene;Pyrene,1,3,6,8-tetrabromo-1,9-dihydro-;2364454-63-5
Categories:
Specialty Chemicals

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1,3,6,8-Tetrabromopyrene Basic Attributes

Molecular Weight：

517.84

Exact Mass：

517.83

EC Number：

204-900-6

UNII：

6VWU1E395N

DSSTox ID：

DTXSID2029165

HScode：

29039990

Characteristics

PSA：

XLogP3：

7.8

Density：

2.284±0.06 g/cm3(Predicted)

Melting Point：

>300 °C

Boiling Point：

548.2±45.0 °C(Predicted)

Flash Point：

273.9ºC

Refractive Index：

1.872

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3,6,8-Tetrabromopyrene Use and Manufacturing

Methods of Manufacturing

Bromine (8.75 g, 0.055 mol) was added dropwise, with vigorous stirring to a solution of pyrene (2.5 g, 12.3 mmol) in nitrobenzene (50 mL) at 80 °C [24]. Then the mixture was heated to 120 °C and kept for 12 h. After cooled to room temperature, the mixture was filtered, washed with ethanol (100 mL), and dried under vacuum to afford 5 (6.04 g, 96percent) as a pale-green solid; m.p. >300 °C (m.p. >300 °C) [21]. (Found C, 36.85; H, 1.23. CTo a stirred nitrobenzene (120 mL) solution of pyrene (1, 4.048 g, 20 mmol) was slowly added nitrobenzene (40 mL) solution of BrSynthesis of Intermediate 2-h [0156] Intermediate 2-h was synthesized according to Reaction Scheme 12 below: [0157] 50 g (0.247 mol) of pyrene was dissolved in 500 ml of chloroform in a 2 L round-bottom flask, and the temperature was decreased to 0° C. Then, a solution of 158 g (0.989 mol) of bromine dissolved in 150 ml of chloroform was slowly added to the flask, the temperature was slowly raised to room temperature, and the resultant mixture was reacted for 8 hours. After the reaction was complete, 100 ml of water was added and the bromine was removed using sodium thiosulfate, and the crystals formed therefrom were filtered and recrystallized. As a result, 97.5 g of Intermediate 2-h was obtained (76percent).(a) (a) (a)

Manufacturing Info：

Pyrene, 1,3,6,8-tetrabromo-: INACTIVE

Computed Properties

Molecular Weight:517.8
XLogP3:7.8
Exact Mass:517.71620
Monoisotopic Mass:513.72030
Heavy Atom Count:20
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 128-63-2

Grade: Industrial Grade

Content: 99%

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