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| CAS No.: | 1133-80-8 |
|---|---|
| Name: | 2-Bromofluorene |
| Molecular Structure: | |
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| Formula: | C13H9Br |
| Molecular Weight: | 245.118 |
| Synonyms: | 9H-Fluorene, 2-bromo-;2-bromo-9H-fluorene;2-Bromofluorene, Tech.; |
| EINECS: | 214-480-6 |
| Density: | 1.489 g/cm3 |
| Melting Point: | 110-115 °C |
| Boiling Point: | 350.3 °C at 760 mmHg |
| Flash Point: | 166.8 °C |
| Appearance: | Colorless powder or crystal |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 4.02030 |
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| Conditions | Yield |
|---|---|
| With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In acetic acid for 0.5h; Ambient temperature; | 99% |
| With N-Bromosuccinimide In 1,2-propylene cyclic carbonate at 60℃; for 1h; | 95% |
| With N-Bromosuccinimide In various solvent(s) at 20℃; for 0.5h; | 91% |
| Conditions | Yield |
|---|---|
| In 1,2-propylene cyclic carbonate; water; toluene | 95% |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen; acetic acid at 60℃; for 7h; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-aminofluorene With hydrogen bromide for 2.3h; Reflux; Stage #2: With copper(I) oxide; n-propyl nitrite; n-Amyl nitrite; copper(I) bromide In water; toluene at 55℃; for 1.8h; Reagent/catalyst; Temperature; | 80.8% |
| (i) (diazotization), (ii) (bromination); Multistep reaction; |
- 1133-80-8
2-bromo-9H-fluorene
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 1h; | 78% |
- 1133-80-8
2-bromo-9H-fluorene
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; trimethylsilyl bromide In N,N-dimethyl acetamide for 1h; Ambient temperature; | 71% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; sodium bromide In water; 1,2-dichloro-ethane at 20℃; for 10h; | A 33% B n/a |
| bei der Bromierung; |
| Conditions | Yield |
|---|---|
| With bromine |
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Specification
The 2-Bromofluorene, with the CAS registry number 1133-80-8, is also known as 9H-Fluorene, 2-bromo-. It belongs to the product categories of Fluorene Derivatives; Fluorenes, Flurenones; Electronic Chemicals; Fluorenes; Fluorenes & Fluorenones; Aryl; C13 to C37+; Halogenated Hydrocarbons. Its EINECS registry number is 214-480-6. This chemical's molecular formula is C13H9Br and molecular weight is 245.11. Its IUPAC name is called 2-bromo-9H-fluorene. The product should be sealed and stored in cool, dry place. What's more, you must keep its container tightly closed and in a well-ventilated place.
Physical properties of 2-Bromofluorene: (1)ACD/LogP: 4.94; (2)ACD/LogD (pH 5.5): 4.94; (3)ACD/LogD (pH 7.4): 4.94; (4)ACD/BCF (pH 5.5): 3317.67; (5)ACD/BCF (pH 7.4): 3317.67; (6)ACD/KOC (pH 5.5): 11529.41; (7)ACD/KOC (pH 7.4): 11529.41; (8)Index of Refraction: 1.67; (9)Molar Refractivity: 61.48 cm3; (10)Molar Volume: 164.5 cm3; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.489 g/cm3; (13)Flash Point: 166.8 °C; (14)Enthalpy of Vaporization: 57.14 kJ/mol; (15)Boiling Point: 350.3 °C at 760 mmHg; (16)Vapour Pressure: 8.99E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by fluorene. This reaction will need reagent bromine. The yield is about 32%.
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Uses of 2-Bromofluorene: it can be used to produce 2-bromo-9-cyclohepta-2,4,6-trienyl-9H-fluorene by heating. This reaction will need reagent n-butyllithium and solvent diethyl ether, hexane, benzene, hexane. The yield is about 69%.
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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)Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)Br
(2)InChI: InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
(3)InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N