5-Bromopyrimidine supplier | CasNO.4595-59-9

Name
5-Bromopyrimidine
EINECS 224-992-1
CAS No. 4595-59-9
Article Data14
CAS DataBase
Density 1.727 g/cm³
Solubility
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
Appearance Yellow solid
Safety 26-36-37/39
Risk Codes 36/37/38-36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrimidine, 5-bromo-;5-bromo pyrimidine;5-bromo-pyrimidine;5 Bromopyrimidine;
PSA 25.78000
LogP 1.23910

Synthetic route

: 766-38-1
mucobromic acid

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 4595-59-9
5-bromopyrimidine

Conditions

Conditions	Yield
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

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.

...Expand

: 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

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

...Expand

: 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

Conditions	Yield
With piperidine In water at 20℃; for 2h;	A 22 %Chromat. B 35 %Chromat. C 23%

...Expand

: 37131-87-6
5-bromo-2-pyrimidinecarboxylic acid

: 4595-59-9
5-bromopyrimidine

Conditions

Conditions	Yield
at 250℃;

: 30680-61-6
pyrimidine hydrochloride

: 4595-59-9
5-bromopyrimidine

Conditions

Conditions	Yield
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

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

Conditions	Yield
Stage #1: 5-bromo-2-iodopyrimidine; 5-bromo-2-(5-bromothiophen-2-yl)pyridine With isopropylmagnesium chloride In tetrahydrofuran Stage #2: Hydrolysis;

...Expand

: 4595-59-9
5-bromopyrimidine

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 40929-50-8
ethyl pyrimidine-5-carboxylate

Conditions

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

...Expand

: 4595-59-9
5-bromopyrimidine

: 98-80-6
phenylboronic acid

: 34771-45-4
5-phenylpyrimidine

Conditions

Conditions	Yield
With caesium carbonate; palladium diacetate In N,N-dimethyl-formamide at 80℃; for 6h; Suzuki-Miyaura cross-coupling reaction;	100%
With potassium carbonate In ethanol; water at 30℃; for 1h; Suzuki-Miyaura Coupling;	100%
With N,N,N′,N′-tetra(diphenylphosphinomethyl)-1,2-ethylenediamine; potassium carbonate; palladium dichloride In 1,4-dioxane; N,N-dimethyl-formamide at 90℃; for 6h; Suzuki coupling; Inert atmosphere;	99%

: 4595-59-9
5-bromopyrimidine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 634468-96-5
tert-butyl 4-(pyrimidin-5-yl)piperazine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 5-bromopyrimidine; 1-t-Butoxycarbonylpiperazine With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In xylene at 50℃; Stage #2: With macroporous polymer-supported isocyanate In xylene at 50℃; for 24h;	100%
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 90℃; for 12h;	58.7%
Stage #1: 5-bromopyrimidine; 1-t-Butoxycarbonylpiperazine With sodium t-butanolate In toluene for 0.25h; Heating / reflux; Stage #2: palladium diacetate; tri-tert-butyl phosphine for 32h; Heating / reflux;
With tris-(dibenzylideneacetone)dipalladium(0); potassium tert-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene for 16h; Reflux; Inert atmosphere;

: 4595-59-9
5-bromopyrimidine

: 98437-24-2
benzofuran-2-boronic acid

: 5-(benzofuran-2-yl)pyrimidine

Conditions

Conditions	Yield
With sodium phosphate dodecahydrate; palladium 10% on activated carbon In isopropyl alcohol at 80℃; for 12h; hetero-Suzuki-Miyaura cross-coupling; Inert atmosphere;	100%
With sodium phosphate; palladium on activated charcoal In isopropyl alcohol at 80℃; for 3h; Suzuki-Miyaura coupling reaction;	95%
With C43H37ClFeNiP2*C4H8O; potassium carbonate In tetrahydrofuran; acetonitrile at 50℃; for 12h; Suzuki-Miyaura Coupling; Inert atmosphere;	89%
With tetra-butylammonium acetate; Pd EnCat-30TM In ethanol at 120℃; for 0.166667h; Suzuki cross-coupling; microwave irradiation;	72%

: 4595-59-9
5-bromopyrimidine

: 13922-41-3
1-Naphthylboronic acid

: 5-(naphthalen-1-yl)pyrimidine

Conditions

Conditions	Yield
With potassium phosphate monohydrate; C66H84O10P2Pd In water; toluene at 45℃; for 4.5h; Reagent/catalyst; Suzuki-Miyaura Coupling; Inert atmosphere;	100%
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate In ethanol at 40℃; for 4h; Suzuki-Miyaura Coupling; Green chemistry;	99%
With potassium carbonate In water; toluene at 90℃; for 0.5h; Suzuki-Miyaura Coupling;	97%

: 4595-59-9
5-bromopyrimidine

: 872030-12-1
(4,4-difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone

: (4,4-difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1-pyrimidin-5-yl-1H-indol-2-yl]-methanone

Conditions

Conditions	Yield
Stage #1: 5-bromopyrimidine; (4,4-difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone With potassium phosphate; (S,S)-1,2-diaminocyclohexane; copper(l) iodide In 1,4-dioxane for 72h; Heating / reflux; Stage #2: With potassium carbonate In 1,4-dioxane for 24h; Heating / reflux;	100%

: 4595-59-9
5-bromopyrimidine

: 40138-16-7
2-formylbenzene boronic acid

: 640769-71-7
2-(pyrimidin-5-yl)benzaldehyde

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water Suzuki coupling; Heating;	100%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In methanol; 1,2-dimethoxyethane; water at 80℃;	70%
With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride In water; acetonitrile at 150℃; for 0.0833333h; Microwave irradiation;
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In water; acetonitrile at 150℃; for 0.0833333h; Sealed tube; Microwave irradiation;	220 mg

: 4595-59-9
5-bromopyrimidine

: 753-90-2
trifluoroethylamine

: C6H6F3N3

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); 5-(di(adamantan-1-yl)phosphino)-1′,3′,5′-triphenyl-1′H-1,4′-bipyrazole; potassium phenolate In 1,4-dioxane at 100℃; for 6h; Sealed tube; Inert atmosphere;	100%

: 4595-59-9
5-bromopyrimidine

: 163105-90-6
2-methoxypyridin-3-yl-boronic acid

: 58759-02-7
3-(pyrimidin-5-yl)thiophene

Conditions

Conditions	Yield
With potassium phosphate; bis(tricyclohexylphosphine)nickel(II) dichloride In tert-Amyl alcohol for 12h; Solvent; Suzuki-Miyaura Coupling; Heating;	100%

: 4595-59-9
5-bromopyrimidine

: tert-butyl 2-(3-carbamoyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)acetate

: tert-butyl 2-(3-carbamoyl-6-(pyrimidin-5-yl)-1H-indazol-1-yl)acetate

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane at 100℃; for 16h; Inert atmosphere;	100%

: 4595-59-9
5-bromopyrimidine

: 927-74-2
1-butyn-4-ol

: 88940-56-1
4-(5-pyrimidinyl)-3-butyn-1-ol

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In dichloromethane at 50℃; for 15h; Sonogashira Cross-Coupling; Inert atmosphere;	99%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine; lithium chloride In water for 2h; Sonogashira coupling; Reflux; Inert atmosphere;	83%
With copper(l) iodide; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In N,N-dimethyl-formamide at 100℃; for 20h;	75%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In dichloromethane for 2h; Heating;
With tetrakis(triphenylphosphine) palladium(0); copper(l) chloride; lithium chloride at 80℃; Castro-Stevens reaction;

: 4595-59-9
5-bromopyrimidine

: 100-46-9
benzylamine

: 104479-78-9
N-benzyl-5-aminopyrimidine

Conditions

Conditions	Yield
With cesium acetate; copper In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;	99%
With dibenzylphosphoramidous acid 1,1'-binaphthyl-2,2'-diyl ester; caesium carbonate; copper(I) bromide In N,N-dimethyl-formamide at 90℃; for 36h;	96%
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; palladium diacetate; potassium carbonate In tert-butyl alcohol at 110℃; for 24h; Catalytic behavior; Reagent/catalyst; Buchwald-Hartwig Coupling; Inert atmosphere;	92%

: 4595-59-9
5-bromopyrimidine

: potassium phenyltrifluoborate

: 34771-45-4
5-phenylpyrimidine

Conditions

Conditions	Yield
With water; palladium diacetate; sodium carbonate at 80℃; for 4h; Suzuki Coupling; Green chemistry;	99%
With palladium diacetate; sodium carbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate In water at 80℃; for 6h; Suzuki-Miyaura Coupling;	99%
With palladium diacetate; sodium carbonate In ethanol; water at 80℃; for 4h; Suzuki-Miyaura Coupling;	98%

: 4595-59-9
5-bromopyrimidine

: 6323-87-1
N,N-diisopropylprop-2-yn-1-amine

: N,N-diisopropyl-3-pyrimidin-5-ylprop-2-ynylamine

Conditions

Conditions	Yield
With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium(0) In acetonitrile at 60℃; for 6h; Sonogashira coupling reaction;	99%

: 123-75-1
pyrrolidine

: 4595-59-9
5-bromopyrimidine

: 5-(pyrrolidin-1-yl)pyrimidine

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; nickel(II) bromide dimethoxyethane; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate In dimethyl sulfoxide at 80℃; for 0.166667h; Flow reactor; Sealed tube; Schlenk technique; Inert atmosphere; Irradiation;	99%
Stage #1: pyrrolidine; 5-bromopyrimidine With nickel(II) chloride hexahydrate; cadmium(II) sulphide In N,N-dimethyl acetamide for 0.00277778h; Schlenk technique; Sonication; Stage #2: In N,N-dimethyl acetamide at 20℃; for 24h; Schlenk technique; Irradiation;	98%
With dibenzylphosphoramidous acid 1,1'-binaphthyl-2,2'-diyl ester; caesium carbonate; copper(I) bromide In N,N-dimethyl-formamide at 90℃; for 36h;	83%
With sodium t-butanolate; XPhos; tris(dibenzylideneacetone)dipalladium (0) In toluene at 100℃; for 15h;	48%

: 4595-59-9
5-bromopyrimidine

: 5720-05-8
4-methylphenylboronic acid

: 74963-04-5
5-(4-methyl phenyl)pyrimidine

Conditions

Conditions	Yield
With potassium phosphate tribasic heptahydrate; palladium diacetate In ethylene glycol at 80℃; for 0.116667h; Suzuki coupling;	99%
With potassium phosphate tribasic heptahydrate; palladium diacetate In isopropyl alcohol at 80℃; for 0.5h; Suzuki coupling;	97%
With potassium phosphate tribasic heptahydrate; palladium dichloride In ethanol; water at 80℃; for 1h; Suzuki-Miyaura reaction;	93%

: 4595-59-9
5-bromopyrimidine

: 113451-59-5
(1S,4S)-2,5-Diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

: tert-butyl (1S,4S)-5-(5-pyrimidinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Conditions

Conditions	Yield
	99%
With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 80 - 85℃; for 5h;	91%
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate In toluene at 80 - 85℃; for 5h;	91%

: 4595-59-9
5-bromopyrimidine

: 87199-17-5
4-formylphenylboronic acid,

: 198084-12-7
4-(pyrimidin-5-yl)benzaldehyde

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 90℃; for 18h; Suzuki Coupling;	99%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate monohydrate In 1,2-dimethoxyethane; water at 90℃; Suzuki Coupling; Inert atmosphere;

: 4595-59-9
5-bromopyrimidine

: 766-97-2
4-n-methylphenylacetylene

: 1058710-38-5
5-((4-methylphenyl)ethynyl)pyrimidine

Conditions

Conditions	Yield
With copper(l) iodide; potassium tetrachloropalladate(II); N,N,N,N,-tetramethylethylenediamine; di‐tert‐butyl‐(1‐phenylindol‐2‐yl)phosphane at 80℃; for 20h; Sonogashira coupling; Inert atmosphere;	99%
With 1,4-diaza-bicyclo[2.2.2]octane In N,N-dimethyl acetamide at 50℃; for 48h; Sonogashira Cross-Coupling; Inert atmosphere;	82%
With 1,4-diaza-bicyclo[2.2.2]octane In water at 100℃; for 48h; Catalytic behavior; Sonogashira Cross-Coupling;	77%
With copper(l) iodide; Pd(t-Bu3P)2; diethylamine In N,N-dimethyl-formamide at 70℃; for 0.166667h; Sonogashira coupling; Microwave irradiation;
With potassium carbonate In water; N,N-dimethyl-formamide at 100℃; for 4h; Sonogashira Cross-Coupling;	97 %Chromat.

: 4595-59-9
5-bromopyrimidine

: 6165-69-1
Thien-3-ylboronic acid

: 58759-02-7
3-(pyrimidin-5-yl)thiophene

Conditions

Conditions	Yield
With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); triethylamine In water at 20℃; for 6h; Suzuki-Miyaura coupling; Inert atmosphere;	99%
With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; Ni(4-CF3stb)3 In 1,4-dioxane at 80℃; for 8h; Inert atmosphere;	99%
With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; Ni(COD)(DQ) In 1,4-dioxane at 80℃; for 8h; Suzuki-Miyaura Coupling; Sealed tube; Inert atmosphere;	98%

: 4595-59-9
5-bromopyrimidine

: 768-60-5
4-methoxyphenylacetylen

: 1252609-00-9
5-((4-methoxyphenyl)ethynyl)pyrimidine

Conditions

Conditions	Yield
With copper(l) iodide; potassium tetrachloropalladate(II); N,N,N,N,-tetramethylethylenediamine; di‐tert‐butyl‐(1‐phenylindol‐2‐yl)phosphane at 80℃; for 20h; Sonogashira coupling; Inert atmosphere;	99%

: 4595-59-9
5-bromopyrimidine

: 55552-70-0
furan-3-boronic acid

: 5-(3-furan-3-yl)pyrimidine

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; Ni(COD)(DQ) In 1,4-dioxane at 80℃; for 8h; Suzuki-Miyaura Coupling; Sealed tube; Inert atmosphere;	99%
With potassium phosphate; NiCl2(PCy3)2 In 2-methyltetrahydrofuran at 100℃; for 12h; Solvent; Temperature; Suzuki-Miyaura Coupling; Inert atmosphere; Sealed tube;	97%
With potassium phosphate; C28H31ClN2Ni; triphenylphosphine In toluene; tert-butyl alcohol at 90℃; for 1h; Suzuki-Miyaura Coupling; Inert atmosphere; Sealed tube;	94%

: 4595-59-9
5-bromopyrimidine

: 89523-62-6
(4-chlorophenyl)zinc(II) chloride

: 1401217-87-5
5-(4-chlorobenzyl)pyrimidine

Conditions

Conditions	Yield
With lithium chloride; bis(triphenylphosphine)nickel(II) chloride In tetrahydrofuran at 0℃; for 5h; Product distribution / selectivity;	99%

: 4595-59-9
5-bromopyrimidine

: 1104637-65-1
2-benzofuranylboronic acid mida ester

: 5-(benzofuran-2-yl)pyrimidine

Conditions

Conditions	Yield
With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; TPGS-750-M; triethylamine In water at 20℃; Inert atmosphere;	99%
With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; triethylamine In water at 20℃; for 6h; Suzuki Coupling;	90%

: 4595-59-9
5-bromopyrimidine

: 109674-45-5
4-methyl-2,6-dioxo-8-phenylhexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

: 34771-45-4
5-phenylpyrimidine

Conditions

Conditions	Yield
With potassium phosphate; [Pd(η(5)-C5H5)Fe(η(5)-C5H3-C(CH3)=N-C6H4-4-CH3)Cl(P(C6H5)3)] In ethanol; water at 90℃; for 12h; Suzuki-Miyaura Coupling; Inert atmosphere; Schlenk technique; Green chemistry;	99%

: 4595-59-9
5-bromopyrimidine

: potassium hexacyanoferrate(II) trihydrate

: 40805-79-6
pyrimidine-5-carbonitrile

Conditions

Conditions	Yield
With Palladium Nanoparticles with two shape-persistent covalent cages CC1' In N,N-dimethyl-formamide at 140℃; for 15h; Reagent/catalyst; Inert atmosphere;	99%

: 4595-59-9
5-bromopyrimidine

: 77970-95-7
S-(4-methoxyphenyl)-S-methylsulfoximine

: (4-methoxyphenyl)(methyl)(pyrimidin-5-ylimino)-λ6-sulfanone

Conditions

Conditions	Yield
With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; nickel(II)-4,4'-di(tert-butyl-2,2'-bipyridine) bromide; N,N,N',N'-tetramethylguanidine In N,N-dimethyl acetamide at 25℃; for 17h; Sealed tube; Inert atmosphere; Irradiation;	99%

: 4595-59-9
5-bromopyrimidine

: (1-methyl-1H-indol-5-yl)boronic acid

: 1-methyl-5-(pyrimidin-5-yl)-1H-indole

Conditions

Conditions	Yield
With potassium phosphate monohydrate; C50H60F3NO6PPdS In water at 55℃; for 5h; Suzuki-Miyaura Coupling;	99%

: 4595-59-9
5-bromopyrimidine

: 2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine

: 2-(4-fluorophenyl)-7-methyl-3-(pyrimidin-5-yl)imidazo[1,2-a]pyridine

Conditions

Conditions	Yield
With [Pd(IPr*IMe)An(3-Cl-pyridinyl)Cl2]; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 12h; regioselective reaction;	99%

: 4595-59-9
5-bromopyrimidine

: 16419-60-6
2-Methylphenylboronic acid

: 5-(2-methylphenyl)pyrimidine

Conditions

Conditions	Yield
With sodium carbonate; palladium 10% on activated carbon for 24h; Heating / reflux;	98.7%
With Tedicyp; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In xylene at 130℃; for 20h; Suzuki cross-coupling reaction;	80%

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:

Product Name

5-Bromopyrimidine

Synthetic route

5-Bromopyrimidine Specification

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