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Cas Database |
| Name |
2,6-Dichloro-3-nitropyridine |
EINECS | 240-151-1 |
| CAS No. | 16013-85-7 | Density | 1.629 g/cm3 |
| PSA | 58.71000 | LogP | 2.81980 |
| Solubility | N/A | Melting Point |
55-60 °C(lit.) |
| Formula | C5H2Cl2N2O2 | Boiling Point | 295.5 °C at 760 mmHg |
| Molecular Weight | 192.989 | Flash Point | 132.5 °C |
| Transport Information | N/A | Appearance | yellow crystalline powder or chunks |
| Safety | 22-26-36/37-37/39-24-36/37/39 | Risk Codes | 36/37/38-42/43-43 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
2,6-dichloro-3-nitro-pyridine;2,6-Dichloro-3-Nitro Pyridine;Pyridine, 2,6-dichloro-3-nitro-; |
Article Data | 18 |
2,6-Dichloro-3-nitropyridine Synthetic route
- 16013-84-6
2,6-dihydroxy-3-nitropyridine
- 16013-85-7
2,6-dicholoro-3-nitropyridine
| Conditions | Yield |
|---|---|
| With bis(trichloromethyl) carbonate In N,N-dimethyl-formamide at 80 - 85℃; for 6h; Solvent; Temperature; Reagent/catalyst; | 92.9% |
- 120-43-4
4-ethoxycarbonylpiperazine
A
- 16013-85-7
2,6-dicholoro-3-nitropyridine
B
- 92741-37-2
2-chloro-6-(4-ethoxycarbonyl-1-piperazinyl)-3-nitropyridine
C
- 75167-21-4
4-(6-chloro-3-nitro-2-pyridinyl)-1-piperazinecarboxylic acid,ethyl ester
D
- 92741-38-3
2,6-bis(4-ethoxycarbonyl-1-piperazinyl)-3-nitropyridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; triethylamine In chloroform at -5 - 0℃; for 2h; | A 1% B 8% C 91.3% D 3.1% |
| With hydrogenchloride; triethylamine In chloroform at -5 - 0℃; for 2h; | A 1% B 8% C 91.3% D 3.1% |
- 2402-78-0
2,6-dichloropyridine
- 16013-85-7
2,6-dicholoro-3-nitropyridine
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 120℃; for 5h; Cooling with ice; | 81% |
| With sulfuric acid; potassium nitrate at 20 - 120℃; for 10.5h; | 80% |
| With sulfuric acid; nitric acid In water at 20 - 105℃; for 5h; | 75.38% |
- 148493-34-9
(2,6-dichloropyridin-3-yl)boronic acid
- 16013-85-7
2,6-dicholoro-3-nitropyridine
| Conditions | Yield |
|---|---|
| With N–nitrosuccinimide; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate In acetonitrile at 20℃; for 19h; Inert atmosphere; Irradiation; | 65% |
- 16013-85-7
2,6-dicholoro-3-nitropyridine
A
- 40851-91-0
6-chloro-2-methoxy-3-nitropyridine
B
- 38533-61-8
2-chloro-6-methoxy-3-nitropyridine
| Conditions | Yield |
|---|---|
| In methanol; ethyl acetate | A n/a B 100% |
| In methanol; ethyl acetate | A n/a B 100% |
- 626-58-4
4-methylpiperidin
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 885704-86-9
6'-chloro-4-methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl
| Conditions | Yield |
|---|---|
| With potassium carbonate In toluene at 20℃; for 6.5h; Product distribution / selectivity; | 100% |
| In ethanol at 20℃; for 15h; Product distribution / selectivity; | 45% |
| In tetrahydrofuran |
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 17061-62-0
N,N-bis(p-methoxybenzyl)amine
- 928831-85-0
6-chloro-N,N-bis(4-methoxybenzyl)-3-nitropyridin-2-amine
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-dicholoro-3-nitropyridine; N,N-bis(p-methoxybenzyl)amine With triethylamine In chloroform at 0 - 20℃; Stage #2: In dichloromethane at 20℃; for 48h; | 100% |
- 5336-19-6
3-methyl-3-nitro-butylamine hydrochloride
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 935847-72-6
(6-chloro-3-nitro-pyridin-2-yl)-(3-methyl-3-nitro-butyl)-amine
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 20h; | 100% |
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 4244-84-2
ethyl β-alaninate hydrochloride
- 433226-12-1
ethyl 3-((6-chloro-3-nitropyridin-2-yl)amino)propanoate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; | 100% |
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 67-63-0
isopropyl alcohol
- 186413-77-4
6-chloro-3-nitro-2-(propan-2-yloxy)pyridine
| Conditions | Yield |
|---|---|
| With sodium hydride In toluene; mineral oil at 5 - 20℃; | 100% |
| Stage #1: 2,6-dicholoro-3-nitropyridine; isopropyl alcohol In toluene at 0℃; for 0.25h; Stage #2: With sodium hydride In toluene at 0 - 20℃; for 16.25h; Inert atmosphere; | 98% |
| With sodium hydride In toluene at 0 - 20℃; for 16.5h; Inert atmosphere; regioselective reaction; | 93% |
2,6-Dichloro-3-nitropyridine Specification
The 2,6-Dichloro-3-nitropyridine, with the cas register number 16013-85-7, has other names as 3-nitro-2,6-dichloropyridine; 2,6-dichloro-3-nitropyridine; timtec-bb sbb003614; pyridine, 2,6-dichloro-3-nitro-; 2,6-dichloro-3-nitropyridine, tech., 92%; dichloronitropyridine; 2,6-dichloro-3-nitro; 2,6-dichloro-3-nitropyridine 98+%.
The characteristics of this chemical could be summarized as: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 12.99; (5)ACD/BCF (pH 7.4): 12.99; (6)ACD/KOC (pH 5.5): 218.13; (7)ACD/KOC (pH 7.4): 218.13; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.71 ; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 40.67 cm3; (13)Molar Volume: 118.4 cm3; (14)Polarizability: 16.12 ×10-24 cm3; (15)Surface Tension: 59.3 dyne/cm; (16)Density: 1.629 g/cm3; (17)Flash Point: 132.5 °C; (18)Enthalpy of Vaporization: 51.37 kJ/mol; (19)Boiling Point: 295.5 °C at 760 mmHg Vapour Pressure: 0.00268 mmHg at 25°C.
This is a kind of yellow crystalline powder or chunks. Being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes and it may cause sensitisation by inhalation and skin contact. Then it is harmful, as it may cause damage to health. So while dealing with this chemical, we should be very cautious and take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and do not breathe dust. Then if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You could also refer to WGK Germany 3 to get more safety information.
As for its usage, it is used as pharmaceutical intermediates. Its product categories are various, including pyridine; pyridine derivative; heterocycles; pyridine series; pyridines derivates; pyridines; chloropyridines; halopyridines; c5heterocyclic building blocks; halogenated heterocycles; heterocyclic building blocks.
Additionally, you could convert the following data information into the molecular structure:
SMILES:O=[N+]([O-])c1ccc(Cl)nc1Cl
InChI:InChI=1/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey:SHCWQWRTKPNTEM-UHFFFAOYAF
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