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Cas Database |
| Name |
4-Bromo-2,2'-bipyridine |
EINECS | N/A |
| CAS No. | 14162-95-9 | Density | 1.494 g/cm3 |
| PSA | 25.78000 | LogP | 2.90610 |
| Solubility | N/A | Melting Point |
52 °C |
| Formula | C10H7BrN2 | Boiling Point | 325.163 °C at 760 mmHg |
| Molecular Weight | 235.083 | Flash Point | 150.454 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Bromo-2,2'-bipyridine;4-Bromo-2,2'-bipyridyl; |
Article Data | 22 |
4-Bromo-2,2'-bipyridine Synthetic route
- 14163-03-2
4-bromo-2,2’-bipyridine N-oxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In chloroform at 0 - 60℃; for 2h; Inert atmosphere; | 99% |
| With phosphorus tribromide In chloroform at 0℃; for 5h; Inert atmosphere; Reflux; | 98.7% |
| With phosphorus tribromide In dichloromethane for 4h; Inert atmosphere; Reflux; | 94% |
- 14163-00-9
4-nitro-2,2'-bipyridine N-oxide
A
- 14162-95-9
4-bromo-2,2'-bipyridyl
B
- 14163-03-2
4-bromo-2,2’-bipyridine N-oxide
| Conditions | Yield |
|---|---|
| With Acetyl bromide; acetic acid for 4h; Inert atmosphere; Reflux; | A 14.6% B 80.3% |
- 14163-00-9
4-nitro-2,2'-bipyridine N-oxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| With Acetyl bromide; phosphorus tribromide; acetic acid In chloroform | 75% |
| With Acetyl bromide; acetic acid at 130℃; for 2h; Microwave irradiation; | 75% |
| With Acetyl bromide; phosphorus tribromide at 40℃; for 1.25h; Reflux; | 56% |
- 33421-43-1
2,2'-bipyridyl N-oxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| With Acetyl bromide In acetic acid for 24h; Inert atmosphere; Reflux; | 68% |
| Multi-step reaction with 3 steps 1: 49 percent / HNO3; H2SO4 / 31 h / 100 °C 2: acetyl bromide 3: PBr3 View Scheme | |
| Multi-step reaction with 2 steps 1: fuming HNO3, conc. H2SO4 / 3 h / 100 °C 2: 36 percent / AcBr, PPh3 / 2 h / Heating View Scheme |
- 249644-59-5
4-bromo-2,2′-bipyridine-1,1′-dioxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In chloroform for 1.25h; deoxygenation; Heating; | 60% |
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| With bromine In chloroform at -60℃; | 57% |
| Conditions | Yield |
|---|---|
| With bromine 1.) 1,2-dichlorobenzene, 180 deg C, 16 h; 2.) CHCl3, -60 deg C; Yield given. Multistep reaction; |
- 366-18-7
[2,2]bipyridinyl
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 13.48 g / magnesium monoperoxyphthalate / ethanol / 5 h / Heating 2: 49 percent / HNO3; H2SO4 / 31 h / 100 °C 3: acetyl bromide 4: PBr3 View Scheme | |
| Multi-step reaction with 3 steps 1: aq. H2O2, AcOH / 12 h / 60 °C 2: fuming HNO3, conc. H2SO4 / 3 h / 100 °C 3: 36 percent / AcBr, PPh3 / 2 h / Heating View Scheme | |
| With hydrogen bromide; dihydrogen peroxide In methanol at 20℃; for 20h; |
- 7275-43-6
[2,2']bipyridinyl 1,1'-dioxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 16 percent / KNO3; H2SO4 / 24 h / 100 °C 2: 64 percent / CH3COBr; glacial AcOH / 2 h / Heating 3: 60 percent / PBr3 / CHCl3 / 1.25 h / Heating View Scheme |
- 14163-01-0
4-nitro-2,2′-bipyridine N-oxide
- 14162-95-9
4-bromo-2,2'-bipyridyl
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 64 percent / CH3COBr; glacial AcOH / 2 h / Heating 2: 60 percent / PBr3 / CHCl3 / 1.25 h / Heating View Scheme |
4-Bromo-2,2'-bipyridine Specification
This chemical is called 2,2'-Bipyridine, 4-bromo-, and its systematic name is 4-bromo-2,2'-bipyridine. With the molecular formula of C10H7BrN2, its molecular weight is 235.08. The CAS registry number of this chemical is 14162-95-9. Additionally, its product category is Pharmacetical.
Other characteristics of the 2,2'-Bipyridine, 4-bromo- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 289; (8)ACD/KOC (pH 7.4): 293; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 54.717 cm3; (15)Molar Volume: 157.35 cm3; (16)Polarizability: 21.692×10-24cm3; (17)Surface Tension: 50.482 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 150.454 °C; (20)Enthalpy of Vaporization: 54.471 kJ/mol; (21)Boiling Point: 325.163 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccnc(c1)c2ncccc2
2.InChI: InChI=1/C10H7BrN2/c11-8-4-6-13-10(7-8)9-3-1-2-5-12-9/h1-7H
3.InChIKey: SCOXFIBXWCCICG-UHFFFAOYAB
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