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| CAS No.: | 174735-02-5 |
|---|---|
| Name: | 3,6-DIBROMO-PHENANTHRENE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C14H8Br2 |
| Molecular Weight: | 336.026 |
| Synonyms: | 3,6-Dibromophenanthrene; |
| Density: | 1.768 g/cm3 |
| Melting Point: | 188-191℃ |
| Boiling Point: | 438.755 °C at 760 mmHg |
| Flash Point: | 256.192 °C |
| PSA: | 0.00000 |
| LogP: | 5.51800 |
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4,4'-dibromostilbene
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; iodine In toluene for 16h; Irradiation; | 97% |
| With iodine In tetrahydrofuran; toluene for 48h; Inert atmosphere; Irradiation; | 83% |
| In cyclohexane Irradiation; |
- 18869-30-2
(E)-4,4'-dibromostilbene
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| With iodine In tetrahydrofuran; toluene for 16h; Irradiation; | 97% |
| With iodine In toluene Irradiation; Inert atmosphere; | 80% |
| With potassium iodide In cyclohexane Schlenk technique; Irradiation; Reflux; | 80% |
| With iodine In benzene Irradiation; | 77.2% |
| With iodine; methyloxirane In cyclohexane for 2h; Photolysis; |
- 860551-67-3
3,6-dibromophenanthrene-9-carboxylic acid
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| With quinoline; copper chromite Heating; | 73% |
- 13974-85-1
3,6-Dibrom-9,10-dihydrophenanthren
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; sodium carbonate |
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| With quinoline; copper chromite at 210 - 220℃; |
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4-bromo-benzaldehyde
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 2: iodine / tetrahydrofuran; toluene / 16 h / Irradiation View Scheme | |
| Multi-step reaction with 3 steps 1.1: potassium carbonate / 1,2-dimethoxyethane / 1 h / Inert atmosphere 1.2: 24 h / 80 °C / Inert atmosphere 2.1: sodium acetate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) / N,N-dimethyl acetamide / 48 h / 100 - 140 °C / Schlenk technique; Inert atmosphere 3.1: iodine / toluene / Irradiation; Inert atmosphere View Scheme |
- 2039-82-9
1-bromo-4-ethenyl-benzene
- 174735-02-5
2,9-dibromophenanthrene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium acetate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) / N,N-dimethyl acetamide / 48 h / 100 - 140 °C / Schlenk technique; Inert atmosphere 2: iodine / toluene / Irradiation; Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 120℃; for 15h; | 89% |
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 80℃; for 15h; Inert atmosphere; | 89% |
- 174735-02-5
2,9-dibromophenanthrene
- 501-65-5
diphenyl acetylene
| Conditions | Yield |
|---|---|
| Stage #1: 3,6-dibromophenanthrene; diphenyl acetylene With 1,8-diazabicyclo[5.4.0]undec-7-ene; cesium pivalate; 1,2-bis-(diphenylphosphino)ethane; palladium dichloride In 1,4-dioxane at 130℃; for 24h; Sealed tube; Inert atmosphere; Stage #2: With 18-crown-6 ether; potassium tert-butylate; hydrazine hydrate; potassium hydroxide In 1,4-dioxane at 110℃; for 12h; Inert atmosphere; Sealed tube; | 88% |
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Specification
The 3,6-Dibromophenanthrene has the CAS registry number 174735-02-5. This chemical's molecular formula is C14H8Br2 and molecular weight is 336.02. What's more, its systematic name is 3,6-Dibromophenanthrene.
Physical properties of 3,6-Dibromophenanthrene are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 31591; (6)ACD/BCF (pH 7.4): 31591; (7)ACD/KOC (pH 5.5): 57859; (8)ACD/KOC (pH 7.4): 57859; (9)Index of Refraction: 1.749; (10)Molar Refractivity: 77.318 cm3; (11)Molar Volume: 190.035 cm3; (12)Polarizability: 30.651×10-24 cm3; (13)Surface Tension: 54.329 dyne/cm; (14)Density: 1.768 g/cm3; (15)Flash Point: 256.192 °C; (16)Enthalpy of Vaporization: 66.877 kJ/mol; (17)Boiling Point: 438.755 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc2ccc1ccc(Br)cc1c2c3
(2)InChI: InChI=1/C14H8Br2/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H
(3)InChIKey: XTPMJIMUYNZFFN-UHFFFAOYSA-N