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5-Bromopyrimidine

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Name

5-Bromopyrimidine

EINECS 224-992-1
CAS No. 4595-59-9 Density 1.727 g/cm3
PSA 25.78000 LogP 1.23910
Solubility N/A Melting Point 69 °C
Formula C4H3BrN2 Boiling Point 201.431 °C at 760 mmHg
Molecular Weight 158.985 Flash Point 75.623 °C
Transport Information N/A Appearance Yellow solid
Safety 26-36-37/39 Risk Codes 36/37/38-36/38
Molecular Structure Molecular Structure of 4595-59-9 (5-Bromopyrimidine) Hazard Symbols IrritantXi
Synonyms

Pyrimidine, 5-bromo-;5-bromo pyrimidine;5-bromo-pyrimidine;5 Bromopyrimidine;

Article Data 14

5-Bromopyrimidine Synthetic route

766-38-1

mucobromic acid

4595-59-9

5-bromopyrimidine

Conditions
ConditionsYield
With boron trioxide In methanol at 180 - 185℃; for 15h;48%

5-bromo-4-(1H-indol-3-yl)-3,4-dihydropyrimidin-1-ium tetrafluoroborate

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
ConditionsYield
With potassium hydroxide; potassium hexacyanoferrate(III) In water at 20℃; for 2h;A 8 %Chromat.
B 12 %Chromat.
C 40%
D 17 %Chromat.

5-bromo-4-(1-ethyl-1H-indol-3-yl)-3,4-dihydropyrimidin-1-ium tetrafluoroborate

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
ConditionsYield
With potassium hydroxide; potassium hexacyanoferrate(III) In water at 20℃; for 2h;A 9 %Chromat.
B 25 %Chromat.
C 40%

5-bromo-4-(1H-indol-3-yl)-3,4-dihydropyrimidin-1-ium tetrafluoroborate

A

4595-59-9

5-bromopyrimidine

B

120-72-9

indole

C

57826-98-9

3-(pyrimidin-4-yl)-1H-indole

Conditions
ConditionsYield
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
ConditionsYield
at 250℃;
30680-61-6

pyrimidine hydrochloride

4595-59-9

5-bromopyrimidine

Conditions
ConditionsYield
With bromine at 160℃;
With bromine; sodium carbonate In water; nitrobenzene; benzene
7726-95-6

bromine

30680-61-6

pyrimidine hydrochloride

4595-59-9

5-bromopyrimidine

36082-50-5

2,4-dichloro-5-bromopyrimidine

4-sulphanilamide

4-sulphanilamide

4595-59-9

5-bromopyrimidine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triethylamine; bis-triphenylphosphine-palladium(II) chloride at 100℃; under 5171.5 Torr;100%

5-Bromopyrimidine 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:

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