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Cas Database |
| Name |
2,4-Dichloro-5-nitropyridine |
EINECS | -0 |
| CAS No. | 4487-56-3 | Density | 1.63 g/cm3 |
| PSA | 58.71000 | LogP | 2.81980 |
| Solubility | N/A | Melting Point |
42.0 to 46.0 °C |
| Formula | C5H2Cl2N2O2 | Boiling Point | 282.329 °C at 760 mmHg |
| Molecular Weight | 192.989 | Flash Point | 124.548 °C |
| Transport Information | N/A | Appearance | Light yellow needles |
| Safety | 45 | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
5-Nitro-2,4-dichloro pyridine; |
Article Data | 12 |
2,4-Dichloro-5-nitropyridine Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide In water at 0 - 25℃; for 18h; | 77% |
- 850663-54-6
4-chloro-2-hydroxy-5-nitropyridine
- 4487-56-3
2,4-dichloro-5-nitropyridine
| Conditions | Yield |
|---|---|
| With trichlorophosphate In toluene for 6h; Heating; | 74% |
| With trichlorophosphate In toluene at 60℃; Heating / reflux; | 74% |
| With trichlorophosphate In toluene at 110℃; for 6h; | 72% |
- 4487-56-3
2,4-dichloro-5-nitropyridine
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 100℃; for 12h; | 66% |
- 24484-96-6
2-amino-4-chloro-5-nitropyridine
- 4487-56-3
2,4-dichloro-5-nitropyridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite In water at 0 - 25℃; for 51h; | 33% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 99 percent / POCl3 / toluene / 16 h / 110 °C 2: 80 percent / potassium t-butoxide; t-BuOOH / tetrahydrofuran; decane; liquid ammonia / 2 h / -35 °C 3: 74 percent / POCl3 / toluene / 6 h / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: trichlorophosphate / toluene / 16 h / 0 - 110 °C / Heating / reflux 2: tert.-butylhydroperoxide; potassium tert-butylate; ammonia / tetrahydrofuran; decane / 3.08 h / -78 - 0 °C 3: trichlorophosphate / toluene / 60 °C / Heating / reflux View Scheme |
- 13091-23-1
4-chloro-3-nitropyridine
- 4487-56-3
2,4-dichloro-5-nitropyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / potassium t-butoxide; t-BuOOH / tetrahydrofuran; decane; liquid ammonia / 2 h / -35 °C 2: 74 percent / POCl3 / toluene / 6 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: tert.-butylhydroperoxide; potassium tert-butylate / decane; N,N-dimethyl-formamide / 2 h / -35 - 5 °C 2: trichlorophosphate / toluene / 6 h / 110 °C View Scheme | |
| Multi-step reaction with 2 steps 1: potassium tert-butylate; tert.-butylhydroperoxide; ammonia / tetrahydrofuran / 1 h / -35 °C 2: trichlorophosphate / toluene / 6 h / 100 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: potassium tert-butylate; ammonia / tetrahydrofuran / 0.17 h / -78 °C 1.2: 1.33 h / -78 - -40 °C 2.1: trichlorophosphate / 12 h / 100 °C View Scheme |
- 88675-24-5
3-aminotetrahydrofuran
- 4487-56-3
2,4-dichloro-5-nitropyridine
- 1612171-86-4
(2-chloro-5-nitropyridin-4-yl)(tetrahydrofuran-3-yl)amine
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran for 2h; | 100% |
| With triethylamine In acetonitrile for 0.166667h; regiospecific reaction; |
- 38041-19-9
4-aminotetrahydropyran
- 4487-56-3
2,4-dichloro-5-nitropyridine
- 1612171-89-7
2-chloro-5-nitro-N-(tetrahydro-2H-pyran-4-yl)pyridin-4-amine
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran for 2.16667h; | 100% |
| With N-ethyl-N,N-diisopropylamine In ethanol Inert atmosphere; Autoclave; regioselective reaction; | 88% |
| With triethylamine In acetonitrile for 0.166667h; regiospecific reaction; |
- 4487-56-3
2,4-dichloro-5-nitropyridine
- 75-31-0
isopropylamine
- 1612171-75-1
(2-chloro-5-nitropyridin-4-yl)isopropylamine
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; for 3h; Time; Temperature; | 100% |
| With triethylamine In tetrahydrofuran at 20℃; for 3h; | 100% |
| With triethylamine In tetrahydrofuran at 25℃; for 6h; | 99% |
| In acetonitrile at 40℃; for 12h; | 91% |
| With triethylamine In acetonitrile for 0.166667h; regiospecific reaction; |
2,4-Dichloro-5-nitropyridine Specification
The 2,4-Dichloro-5-nitropyridine, with the CAS registry number 4487-56-3, is also known as Pyridine, 2,4-dichloro-5-nitro-. This chemical's molecular formula is C5H2Cl2N2O2 and molecular weight is 192.99. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2,4-Dichloro-5-nitropyridine are: (1)ACD/LogP: 1.71; (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): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 165; (8)ACD/KOC (pH 7.4): 165; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 40.68 cm3; (15)Molar Volume: 118.4 cm3; (16)Surface Tension: 59.359 dyne/cm; (17)Density: 1.63 g/cm3; (18)Flash Point: 124.548 °C; (19)Enthalpy of Vaporization: 50.025 kJ/mol; (20)Boiling Point: 282.329 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ncc1N(=O)=O
(2) InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
(3) InChIKey: RZVJQUMDJUUBBF-UHFFFAOYSA-N
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