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| CAS No.: | 4595-59-9 |
|---|---|
| Name: | 5-Bromopyrimidine |
| Molecular Structure: | |
|
|
|
| Formula: | C4H3BrN2 |
| Molecular Weight: | 158.985 |
| Synonyms: | Pyrimidine, 5-bromo-;5-bromo pyrimidine;5-bromo-pyrimidine;5 Bromopyrimidine; |
| EINECS: | 224-992-1 |
| Density: | 1.727 g/cm3 |
| Melting Point: | 69 °C |
| Boiling Point: | 201.431 °C at 760 mmHg |
| Flash Point: | 75.623 °C |
| Appearance: | Yellow solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-36/38 |
| Safety: | 26-36-37/39 |
| PSA: | 25.78000 |
| LogP: | 1.23910 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
| Conditions | Yield |
|---|---|
| With boron trioxide In methanol at 180 - 185℃; for 15h; | 48% |
A
- 4595-59-9
5-bromopyrimidine
B
- 120-72-9
indole
C
- 1433688-83-5
3-(5-bromopyrimidin-4-yl)-1H-indole
D
- 57826-98-9
3-(pyrimidin-4-yl)-1H-indole
| Conditions | Yield |
|---|---|
| With potassium hydroxide; potassium hexacyanoferrate(III) In water at 20℃; for 2h; | A 8 %Chromat. B 12 %Chromat. C 40% D 17 %Chromat. |
A
- 4595-59-9
5-bromopyrimidine
B
- 10604-59-8
N-Ethylindole
C
- 1433688-86-8
3-(5-Bromopyrimidin-4-yl)-1-ethyl-1H-indole
| Conditions | Yield |
|---|---|
| With potassium hydroxide; potassium hexacyanoferrate(III) In water at 20℃; for 2h; | A 9 %Chromat. B 25 %Chromat. C 40% |
| Conditions | Yield |
|---|---|
| With piperidine In water at 20℃; for 2h; | A 22 %Chromat. B 35 %Chromat. C 23% |
- 37131-87-6
5-bromo-2-pyrimidinecarboxylic acid
- 4595-59-9
5-bromopyrimidine
| Conditions | Yield |
|---|---|
| at 250℃; |
- 30680-61-6
pyrimidine hydrochloride
- 4595-59-9
5-bromopyrimidine
| Conditions | Yield |
|---|---|
| With bromine at 160℃; | |
| With bromine; sodium carbonate In water; nitrobenzene; benzene |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In diethyl ether; butan-1-ol |
- 183438-24-6
5-bromo-2-iodopyrimidine
- 136902-53-9
5-bromo-2-(5-bromothiophen-2-yl)pyridine
A
- 4595-59-9
5-bromopyrimidine
B
- 91891-74-6
5-bromo-2-(thiophen-2-yl)pyridine
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-2-iodopyrimidine; 5-bromo-2-(5-bromothiophen-2-yl)pyridine With isopropylmagnesium chloride In tetrahydrofuran Stage #2: Hydrolysis; |
- 4595-59-9
5-bromopyrimidine
- 64-17-5
ethanol
- 201230-82-2
carbon monoxide
- 40929-50-8
ethyl pyrimidine-5-carboxylate
| Conditions | Yield |
|---|---|
| With triethylamine; bis-triphenylphosphine-palladium(II) chloride at 100℃; under 5171.5 Torr; | 100% |
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Specification
The 5-Bromopyrimidine with the cas number 4595-59-9, is also called Pyrimidine, 5-bromo-. It belongs to the following product categories: (1)Halide; (2)Pyridines, Pyrimidines, Purines and Pteredines; (3)Halides; (4)Pyrazines, Pyrimidines & Pyridazines; (5)Aromatics Compounds; (6)Aromatics; (7)Heterocycles; (8)Pyrazines, Pyrimidines & Pyridazines; (9)Building Blocks; (10)Halogenated Heterocycles; (11)Heterocyclic Building Blocks; (12)Pyrimidines; (13)PyrimidinesHeterocyclic Building Blocks; (14)Pyrimidine. It seem to be yellow solid.
Physical properties about this chemical are: (1)ACD/LogP: 0.66 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.66 ; (4)ACD/LogD (pH 7.4): 0.66 ; (5)ACD/BCF (pH 5.5): 1.87 ; (6)ACD/BCF (pH 7.4): 1.87 ; (7)ACD/KOC (pH 5.5): 54.46 ; (8)ACD/KOC (pH 7.4): 54.46 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 25.78 Å2 ; (13)Index of Refraction: 1.568 ; (14)Molar Refractivity: 30.12 cm3 ; (15)Molar Volume: 92 cm3 ; (16)Polarizability: 11.94 ×10-24cm3 ; (17)Surface Tension: 51 dyne/cm ; (18)Density: 1.726 g/cm3 ; (19)Flash Point: 75.6 °C ; (20)Enthalpy of Vaporization: 41.98 kJ/mol ; (21)Boiling Point: 201.4 °C at 760 mmHg ; (22)Vapour Pressure: 0.437 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following: 5-Bromopyrimidine is quite irritating to eyes, respiratory system and skin. Before you are using it, you should wear suitable gloves and eye/face protection to prevent you from being harmed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear and Use water spray, dry chemical, carbon dioxide, or chemical foam to put out a fire.
You can still convert the following datas into molecular structure :
(1) SMILES: c1c(cncn1)Br
(2) InChI:InChI=1/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
Toxic information of Selenium can be showed as follows: