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| CAS No.: | 3096-56-8 |
|---|---|
| Name: | 2-Bromo-9-fluorenone |
| Article Data: | 96 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H7BrO |
| Molecular Weight: | 259.102 |
| Synonyms: | Fluoren-9-one,2-bromo- (6CI,7CI,8CI);2-Bromo-9H-fluoren-9-one;2-Bromofluorenone; |
| EINECS: | 636-546-7 |
| Density: | 1.609 g/cm3 |
| Melting Point: | 143-149 °C |
| Boiling Point: | 392.8 °C at 760 mmHg |
| Flash Point: | 131.3 °C |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 17.07000 |
| LogP: | 3.66050 |
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| Conditions | Yield |
|---|---|
| With potassium bromate; tetrabutyl-ammonium chloride; ammonium bromide In water at 75℃; for 6h; Temperature; | 99.2% |
| With bromine In water at 80℃; for 4h; regioselective reaction; | 94% |
| With bromine In water at 80 - 85℃; for 4.5h; | 90.4% |
| Conditions | Yield |
|---|---|
| With air; caesium carbonate In dimethyl sulfoxide at 20℃; for 3h; | 98% |
| With oxygen; potassium hydroxide In tetrahydrofuran at 20℃; for 14h; | 98% |
| With air; graphene-supported KOH composite In N,N-dimethyl-formamide at 20℃; for 8h; | 98% |
- 33417-29-7
2-bromo-9H-fluoren-9-ol
- 3096-56-8
2-bromofluoren-9-one
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide In water at 100℃; for 24h; | 98% |
| With N-Bromosuccinimide; potassium acetate In dichloromethane; water at 20℃; for 10h; Green chemistry; | 98% |
| With picoline; tert.-butylhydroperoxide; chlorophyllin coppered trisodium salt In water; acetone at 80℃; for 10h; chemoselective reaction; | 98% |
| With tert.-butylhydroperoxide; copper(II) acetate monohydrate In water at 80℃; for 8h; | 92% |
| With 4-nitro-1-chlorobenzotriazole In water; acetic acid at 29.85℃; Kinetics; |
- 69200-18-6
4-bromo-[1,1′-biphenyl]-2-carboxylic acid
- 3096-56-8
2-bromofluoren-9-one
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromo-[1,1′-biphenyl]-2-carboxylic acid With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 8h; Stage #2: With aluminum (III) chloride at 20℃; for 6h; | 91% |
| bei der Destillation; |
| Conditions | Yield |
|---|---|
| With sodium persulfate; (2S,3S)-N-acetyl-2-amino-3-methylpentanoic acid; trifluorormethanesulfonic acid; palladium diacetate In dimethyl sulfoxide at 80℃; for 24h; Schlenk technique; | 79% |
- 400747-91-3
4'-bromo-[1,1'-biphenyl]-2-carbaldehyde
- 3096-56-8
2-bromofluoren-9-one
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; ferrocene In decane; acetonitrile at 20 - 90℃; for 24h; | 76% |
| With carbon tetrabromide; oxygen In neat (no solvent) at 140℃; | 51% |
| Conditions | Yield |
|---|---|
| With C31H25N2O3PPdS; potassium hydroxide In methanol; water at 50℃; for 6h; Catalytic behavior; Green chemistry; regioselective reaction; | 71% |
- 6633-25-6
2,9-dibromo-9H-fluorene
A
- 3096-56-8
2-bromofluoren-9-one
B
- 95952-50-4
2,2'-dibromo-[9,9']bifluorenyl
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide; iron(II) oxalate dihydrate at 155 - 160℃; for 0.166667h; | A n/a B 70% |
- 1133-80-8
2-bromo-9H-fluorene
- 448-61-3
2,4,6-triphenylpyrylium tetrafluoroborate
- 3096-56-8
2-bromofluoren-9-one
| Conditions | Yield |
|---|---|
| With oxygen In dichloromethane for 2h; Thermodynamic data; Irradiation; | 65% |
| With oxygen In dichloromethane for 2h; Irradiation; Yield given; |
- 168072-17-1
4'-bromo-[1,1'-biphenyl]-2-carbonitrile
- 3096-56-8
2-bromofluoren-9-one
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II); water; silver trifluoroacetate In N,N-dimethyl acetamide; trifluoroacetic acid at 140℃; for 72h; Heck Reaction; Glovebox; Inert atmosphere; | 65% |
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Specification
The 2-Bromo-9-fluorenone, with the CAS registry number 3096-56-8, is also known as 9H-Fluoren-9-one, 2-bromo-. It belongs to the product categories of Fluorene Derivatives; Fluorenes, Flurenones; Electronic Chemicals; Fluorenes & Fluorenones; Fluorenones; C13 to C14; Carbonyl Compounds; Ketones. This chemical's molecular formula is C13H7BrO and molecular weight is 259.0981. Its systematic name is called 2-bromo-9H-fluoren-9-one. This chemical is yellow powder which should be sealed and stored in cool and dry place.
Physical properties of 2-Bromo-9-fluorenone: (1)ACD/LogP: 4.35; (2)#H bond acceptors: 1; (3)Index of Refraction: 1.691; (4)Molar Refractivity: 61.61 cm3; (5)Molar Volume: 161 cm3; (6)Surface Tension: 56 dyne/cm; (7)Density: 1.609 g/cm3; (8)Flash Point: 131.3 °C; (9)Enthalpy of Vaporization: 64.26 kJ/mol; (10)Boiling Point: 392.8 °C at 760 mmHg; (11)Vapour Pressure: 2.23E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4,6-triphenyl-pyranylium; tetrafluoroborate and 2-bromo-fluorene. This reaction will need reagent O2 and solvent CH2Cl2. The reaction time is 2 hours. The yield is about 65%.
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Uses of 2-Bromo-9-fluorenone: it can be used to produce 2-(3-pyridyl)-9-fluorenone by heating. This reaction will need reagent KOH, tetrabutylammonium bromide, tetrakis(triphenylphosphine)palladium and solvent tetrahydrofuran with reaction time of 18 hours. The yield is about 20%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc2c1ccccc1C(=O)c2c3
(2)InChI: InChI=1/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
(3)InChIKey: MTCARZDHUIEYMB-UHFFFAOYAR
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