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| CAS No.: | 4359-87-9 |
|---|---|
| Name: | 2,4,6-TRICHLORO-5-NITROPYRIMIDINE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4Cl3N3O2 |
| Molecular Weight: | 228.422 |
| Synonyms: | 2,4,6-TRICHLORO-5-NITROPYRIMIDINE;2,4,6-Trichloro-5-nitropyrimidine ,90%;2,4,6-Trichloro-5-nitropyrimidine, tech.;2,4,6-trichloro-5-nitro-pyriMidine 85+% |
| EINECS: | 200-001-2 |
| Density: | 1.848 g/cm3 |
| Melting Point: | 56-58℃ |
| Boiling Point: | 313.532 °C at 760 mmHg |
| Flash Point: | 143.42 °C |
| PSA: | 71.60000 |
| LogP: | 2.86820 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 106351-49-9
5-nitrobarbituric acid
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
| Conditions | Yield |
|---|---|
| With diethylamine; trichlorophosphate at 0 - 23℃; for 2.5h; | 33% |
- 106351-49-9
dilituric acid
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: dilituric acid With N,N-diethylaniline; trichlorophosphate at 20 - 45℃; Inert atmosphere; Stage #2: With water at 5℃; Cooling with ice; | 33% |
| Stage #1: dilituric acid at 20 - 45℃; Ic; Stage #2: With N,N-diethylaniline; trichlorophosphate Inert atmosphere; | 33% |
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 28 - 45℃; | 13% |
| Conditions | Yield |
|---|---|
| With N,N-diethylaniline; trichlorophosphate | |
| With N,N-diethylaniline; trichlorophosphate |
- 106351-49-9
dilituric acid
A
- 1780-40-1
2,4,5,6-tetrachloropyrimidine
B
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
| Conditions | Yield |
|---|---|
| With 2,6-dimethylpyridine; trichlorophosphate at 90℃; for 3h; |
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
- 31221-68-8
2,6-dichloro-5-nitropyrimidin-4-amine
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran; ethanol at -70℃; for 0.5h; | 97% |
| With ammonia In tetrahydrofuran; ethanol at -70℃; for 0.5h; | 97% |
| With diethyl ether; ammonia | |
| With ammonia; triethylamine In tetrahydrofuran; methanol at -78 - 0℃; Product distribution / selectivity; |
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 92% |
- 110-91-8
morpholine
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
- 13923-34-7
2,6-dichloro-5-nitro-4-morpholinopyrimidine
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 14h; | 91% |
| With triethylamine In dichloromethane at 0 - 20℃; | 91% |
| With triethylamine In dichloromethane at 0 - 20℃; | 67% |
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
- 91322-00-8
5-amino-2,4,6-trichloropyrimidine
| Conditions | Yield |
|---|---|
| With iron; acetic acid In methanol at 20℃; | 89% |
| With iron; acetic acid In ethanol at 60℃; for 2h; | 46% |
| With ethanol; nickel Hydrogenation; | |
| With hydrogen; Raney-Nickel2800 In ethanol; water at 20℃; |
- 4359-87-9
2,4,6-trichloro-5-nitropyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: 2,4,6-trichloro-5-nitropyrimidine; bicyclo[1.1.1]pentan-1-amine hydrochloride In isopropyl alcohol at -78℃; for 0.5h; Stage #2: With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 20℃; for 0.5h; | 84% |
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Specification
The Pyrimidine, 2, 4, 6-trichloro-5-nitro-, with the CAS registry number of 4359-87-9, is also known as TC-064484. This chemical's molecular formula is C4Cl3N3O2 and molecular weight is 228.4207. What's more, its IUPAC name is 2, 4, 6-Trichloro-5-nitropyrimidine.
Physical properties about Pyrimidine, 2, 4, 6-trichloro-5-nitro- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 71.6 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 43.66 cm3; (9)Molar Volume: 123.5 cm3; (10)Surface Tension: 70.9 dyne/cm; (11)Density: 1.848 g/cm3; (12)Flash Point: 143.4 °C; (13)Enthalpy of Vaporization: 53.25 kJ/mol; (14)Boiling Point: 313.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000909 mmHg at 25 °C.
Uses of Pyrimidine, 2, 4, 6-trichloro-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 5-Nitro-2, 4, 6-trimethoxypyrimidine. The reaction needs reagent NaOMe and solvent Methanol. The reaction time is 1 hour. The yield is about 66 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(Cl)nc(Cl)c1[N+]([O-])=O
(2) InChI: InChI=1/C4Cl3N3O2/c5-2-1(10(11)12)3(6)9-4(7)8-2
(3) InChIKey: QGFWFWSBFMRDNP-UHFFFAOYAJ