5-Bromoindazole supplier | CasNO.53857-57-1

Name
5-Bromoindazole
EINECS
CAS No. 53857-57-1
Article Data45
CAS DataBase
Density 1.771 g/cm³
Solubility
Melting Point 131-135 °C(lit.)
Formula C₇H₅BrN₂
Boiling Point 333.821 °C at 760 mmHg
Molecular Weight 197.034
Flash Point 155.69 °C
Transport Information UN 2811 6.1/PG 3
Appearance
Safety 26-36-36/37/39-22-39
Risk Codes 25-36/37/38-22-41
Molecular Structure
Hazard Symbols Xn, T
Synonyms 5-Bromo-1H-indazole;1H-Indazole, 5-bromo-;
PSA 28.68000
LogP 2.32540

Synthetic route

: tert-butyl (4-bromo-2-methylphenyl)azo sulfide

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide for 1.5h; Ambient temperature;	98%

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrazine hydrate at 100℃; for 12h;	96%
With hydrazine at 100℃;	50%
With hydrazine hydrate In 1,2-dimethoxyethane for 15h; Heating;	45%

: 583-75-5
4-Bromo-2-methylaniline

: 110-46-3
isopentyl nitrite

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; potassium acetate; acetic anhydride In n-heptane; chloroform; water; ethyl acetate	94%

: 5-bromo-1-(phenylsulfonyl)-1H-indazole

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; Cu(dq)((rac)-2,2′-bis(diphenylphosphino)-1,1′-binaphthalene)BF4; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Irradiation;	89%

: 40598-76-3
3,5-dibromoindazole

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With methanol; magnesium at 20℃; chemoselective reaction;	84%
With phosphorus; hydrogen iodide at 110℃;

: 5-bromo-1-tosyl-1H-indazole

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl acetamide at 60℃; for 2h; Inert atmosphere;	82%

: 4-bromo-2-methylbenzenediazonium tetrafluoroborate

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium acetate In chloroform at 20℃; for 2h;	80%
With potassium acetate; 18-crown-6 ether In chloroform at 20℃; for 2h;	65%
With 18-crown-6 ether; potassium acetate In chloroform at 20℃;	60%

: 583-75-5
4-Bromo-2-methylaniline

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With acetic acid; sodium nitrite In water at 20℃; for 5h;	61%
Stage #1: 4-Bromo-2-methylaniline With acetic anhydride In chloroform at 0 - 40℃; for 1h; Stage #2: With potassium acetate; isopentyl nitrite In chloroform for 18h; Heating / reflux; Stage #3: With hydrogenchloride In water at 50℃; for 2h;	60%
Stage #1: 4-Bromo-2-methylaniline With tetrafluoroboric acid; sodium nitrite In water at 0℃; Stage #2: With 18-crown-6 ether; potassium acetate In chloroform at 20℃; Further stages.;
Multi-step reaction with 2 steps 1.1: water / 0.25 h / 20 °C 1.2: 0 - 5 °C 2.1: 18-crown-6 ether; potassium acetate / chloroform / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: sodium acetate / toluene / 0.67 h / 85 °C 2: toluene / 4.25 h / 65 °C View Scheme

: 61272-71-7
3-amino-5-bromo-1H-indazole

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With nitrous acid isobutyl ester; hypophosphorous acid In ethanol; water at 0 - 20℃; for 3h;	40%

: 1077-94-7
5-bromobenzopyrazole-3-carboxylic acid

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
at 320℃;

: 2596-89-6
3-Diazo-3H-indazol

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrogen bromide

: 861796-22-7
acetic acid-(4-bromo-2-methyl-N-nitroso-anilide)

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With benzene

: 861796-22-7
acetic acid-(4-bromo-2-methyl-N-nitroso-anilide)

: 71-43-2
benzene

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
at 60℃;

5-bromo-indazole-carboxylic acid-(3): 5-bromo-indazole-carboxylic acid-(3)

: 53857-57-1
5-bromo-1H-indazole

: 5-bromo-1-(2-nitro-benzoyl)-1H-indazole

alcoholic KOH-solution: alcoholic KOH-solution

: 53857-57-1
5-bromo-1H-indazole

: 10034-85-2
hydrogen iodide

: 40598-76-3
3,5-dibromoindazole

red phosphorus: red phosphorus

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
at 110℃;

...Expand

: 1077-94-7
5-bromobenzopyrazole-3-carboxylic acid

: 7732-18-5
water

A: 53857-57-1
5-bromo-1H-indazole

B: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

Conditions

Conditions	Yield
at 200℃;

...Expand

: 2596-89-6
3-Diazo-3H-indazol

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 271-44-3
benzimidazole

B: 53857-57-1
5-bromo-1H-indazole

C: 40598-94-5
3-bromo-1H-indazole

D: 40598-76-3
3,5-dibromoindazole

...Expand

: 5-bromo-2-fluoro-benzaldehyde O-methyl-oxime

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrazine In 1,2-dimethoxyethane Heating;
With hydrazine hydrate Reflux;
With hydrazine hydrate Reflux;

: 540-80-7
tert.-butylnitrite

: 24106-05-6
4'-bromo-2'-methylacetanilide

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
In toluene at 65℃; for 4.25h;

: 24106-05-6
4'-bromo-2'-methylacetanilide

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: glacial acetic acid / Einleiten von nitrosen Gasen 2: benzene View Scheme
Multi-step reaction with 3 steps 1.1: hydrogenchloride / ethanol / 3 h / Reflux 1.2: 0.5 h / 20 °C 2.1: water / 0.25 h / 20 °C 2.2: 0 - 5 °C 3.1: 18-crown-6 ether; potassium acetate / chloroform / 2 h / 20 °C View Scheme

: 40598-94-5
3-bromo-1H-indazole

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: glacial acetic acid / durch Bromierung 2: concentrated hydriodic acid; red phosphorus / 110 °C View Scheme

aqueous concentrated HCl: aqueous concentrated HCl

: 13826-83-0
ammonium tetrafluroborate

: 583-75-5
4-Bromo-2-methylaniline

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With potassium acetate; sodium nitrite In chloroform; acetic acid
With potassium acetate; sodium nitrite In chloroform; acetic acid
With potassium acetate; sodium nitrite In chloroform; acetic acid

...Expand

: 13826-83-0
ammonium tetrafluroborate

: 583-75-5
4-Bromo-2-methylaniline

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrogenchloride; potassium acetate; acetic acid; sodium nitrite In chloroform; water

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

A: 51437-00-4
5-bromo-2-fluorotoluene

B: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
With hydrazine Inert atmosphere; Reflux;

: 95-53-4
o-toluidine

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 2 h / 110 - 115 °C 2.1: bromine; acetic acid / 1.5 h / 50 °C 3.1: hydrogenchloride / ethanol / 3 h / Reflux 3.2: 0.5 h / 20 °C 4.1: water / 0.25 h / 20 °C 4.2: 0 - 5 °C 5.1: 18-crown-6 ether; potassium acetate / chloroform / 2 h / 20 °C View Scheme

: 120-66-1
N-(2-methylphenyl)acetamide

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: bromine; acetic acid / 1.5 h / 50 °C 2.1: hydrogenchloride / ethanol / 3 h / Reflux 2.2: 0.5 h / 20 °C 3.1: water / 0.25 h / 20 °C 3.2: 0 - 5 °C 4.1: 18-crown-6 ether; potassium acetate / chloroform / 2 h / 20 °C View Scheme

: 593-56-6
N-methoxylamine hydrochloride

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

: 53857-57-1
5-bromo-1H-indazole

Conditions

Conditions	Yield
Stage #1: N-methoxylamine hydrochloride; 5-bromo-2-fluorobenzaldehyde With potassium carbonate In 1,2-dimethoxyethane at 40℃; Stage #2: With hydrazine In 1,2-dimethoxyethane Reflux;

: 53857-57-1
5-bromo-1H-indazole

: 459133-66-5
5-bromo-3-iodo-1H-indazole

Conditions

Conditions	Yield
With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h;	100%
Stage #1: 5-bromo-1H-indazole With potassium tert-butylate In tetrahydrofuran at 0℃; Stage #2: With iodine In tetrahydrofuran at 0 - 20℃;	99%
With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere;	97.9%

: 24424-99-5
di-tert-butyl dicarbonate

: 53857-57-1
5-bromo-1H-indazole

: 651780-02-8
tert-butyl 5-bromo-1H-indazole-1-carboxylate

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃;	100%
With dmap; triethylamine In acetonitrile for 3h;	99%
With dmap In acetonitrile at 23℃; for 0.25h; Inert atmosphere;	99%

: 53857-57-1
5-bromo-1H-indazole

: 73183-34-3
bis(pinacol)diborane

: 862723-42-0
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In N,N-dimethyl-formamide at 100℃; Inert atmosphere;	100%
With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In N,N-dimethyl-formamide at 90℃; for 24h;	84%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 90℃; for 24h; Inert atmosphere;	81%

: 53857-57-1
5-bromo-1H-indazole

: 55919-82-9
5-iodo-1H-indazole

Conditions

Conditions	Yield
With sodium iodide; trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide In 1,4-dioxane at 110℃; for 68h;	100%

: 53857-57-1
5-bromo-1H-indazole

: 109-92-2
ethyl vinyl ether

: 1178903-22-4
5-bromo-1-(1-ethoxyethyl)-1H-indazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane for 18h; regioselective reaction;	99%

: 53857-57-1
5-bromo-1H-indazole

: 611-21-2
N,2-dimethylaniline

: 1248590-76-2
N-methyl-N-(o-tolyl)-1H-indazol-5-amine

Conditions

Conditions	Yield
With chloro-(2-dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II); lithium hexamethyldisilazane; ruphos In tetrahydrofuran at 65℃; for 4h; Inert atmosphere; Sealed vial;	99%
With [Pd(RuPhos)(dvtms)]; lithium hexamethyldisilazane In tetrahydrofuran at 65℃; for 16h; Buchwald-Hartwig Coupling; Sealed tube;

: 110-87-2
3,4-dihydro-2H-pyran

: 53857-57-1
5-bromo-1H-indazole

: 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane for 1h; regioselective reaction;	98.2%
With toluene-4-sulfonic acid In toluene at 15 - 75℃; for 2h; Inert atmosphere;	98%
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 3h;	97%

: 53857-57-1
5-bromo-1H-indazole

: 76513-69-4
(2-trimethylethylsilylethoxy)methyl chloride

: 894808-05-0
5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indazole With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.5h; Stage #2: (2-trimethylethylsilylethoxy)methyl chloride In tetrahydrofuran at 20℃; for 16h;	98%
With potassium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 0 - 20℃; for 3h;	81%
With tetrabutylammomium bromide; sodium hydroxide In dichloromethane; water for 3h; Inert atmosphere;	81%
Stage #1: 5-bromo-1H-indazole With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Stage #2: (2-trimethylethylsilylethoxy)methyl chloride In tetrahydrofuran; mineral oil at 20℃; for 3h;	70%
Stage #1: 5-bromo-1H-indazole With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: (2-trimethylethylsilylethoxy)methyl chloride In N,N-dimethyl-formamide at 0℃; for 2h;	63%

: 53857-57-1
5-bromo-1H-indazole

: 13078-12-1
1-(4-chlorophenyl)piperazine hydrochloride

: 1248590-77-3
5-(4-(4-chlorophenyl)piperazin-1-yl)-1H-indazole

Conditions

Conditions	Yield
With RuPhos palladacycle; lithium hexamethyldisilazane; ruphos In tetrahydrofuran at 65℃; for 4h; Inert atmosphere; Sealed vial;	98%

: 53857-57-1
5-bromo-1H-indazole

: 98-59-9
p-toluenesulfonyl chloride

: 5-bromo-1-tosyl-1H-indazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 50℃; Reagent/catalyst; Temperature;	97%
With triethylamine In acetonitrile at 50℃; for 8h;	93%

: 42302-17-0
3-Dimethylaminopropanethiol

: 53857-57-1
5-bromo-1H-indazole

: 3-((1H-indazol-5-yl)thio)-N,N-dimethylpropan-1-amine

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran at 120℃; for 16h; Inert atmosphere;	97%

: 53857-57-1
5-bromo-1H-indazole

: 124-40-3
dimethyl amine

: N,N-dimethyl-1H-indazol-5-amine

Conditions

Conditions	Yield
With RuPhos palladacycle; lithium hexamethyldisilazane; ruphos In tetrahydrofuran at 65℃; for 4h; Inert atmosphere; Sealed vial;	96%

: 53857-57-1
5-bromo-1H-indazole

: 98-80-6
phenylboronic acid

: 861905-18-2
5-bromo-1-phenyl-1H-indazole

Conditions

Conditions	Yield
With pyridine; oxygen; copper diacetate In dichloromethane at 15℃; for 12h;	96%

: 53857-57-1
5-bromo-1H-indazole

: 2258-42-6
Acetic formic anhydride

: 61700-61-6
1H-indazole-5-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indazole; formyl acetic anhydride With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 90℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In water pH=Ca. 4 - 6;	95%

: 5466-06-8
3-mercaptopropionic acid ethyl ester

: 53857-57-1
5-bromo-1H-indazole

: ethyl 3-((1H-indazol-5-yl)thio)propionate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; for 2h; Inert atmosphere;	95%

: 53857-57-1
5-bromo-1H-indazole

: 52721-69-4
[2-(2-fluorophenyl)ethyl]amine

: 1248590-86-4
N-(2-fluorophenethyl)-1H-indazol-5-amine

Conditions

Conditions	Yield
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl] [2-(2-aminoethyl)phenyl]palladium(II); lithium hexamethyldisilazane In tetrahydrofuran at 65℃; for 4h; Inert atmosphere; Sealed vial;	94%

: 15570-12-4
3-methoxybenzenethiol

: 53857-57-1
5-bromo-1H-indazole

: C14H12N2OS

Conditions

Conditions	Yield
With C31H49O2PC12H10N(1-)CH3O3S(1-)Pd(2+)CH2Cl2; lithium hexamethyldisilazane In tetrahydrofuran at 20℃;	93%

: 53857-57-1
5-bromo-1H-indazole

: 108-24-7
acetic anhydride

: 152626-92-1
1-(5-bromo-1H-indazol-1-yl)ethanone

Conditions

Conditions	Yield
for 2h; Reflux;	92%
Stage #1: 5-bromo-1H-indazole With ferrocene; tert-butylammonium hexafluorophosphate(V) In acetonitrile at 20℃; for 3h; Electrochemical reaction; Inert atmosphere; Glovebox; Stage #2: acetic anhydride In acetonitrile for 2h; Electrochemical reaction; Inert atmosphere; Glovebox;	72%
With pyridine; dmap In dichloromethane at 40℃;	70%

: 53857-57-1
5-bromo-1H-indazole

: 100-39-0
benzyl bromide

A: 937049-51-9
2-benzyl-5-bromo-2H-indazole

B: 1087160-01-7
1-benzyl-5-bromo-1H-indazole

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indazole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 0 - 20℃; for 2h;	A 88% B 92%
With tetra-(n-butyl)ammonium iodide; sodium hydroxide In para-xylene at 130℃;	A 302 mg B 364 mg

...Expand

: 53857-57-1
5-bromo-1H-indazole

: 74-88-4
methyl iodide

: ClO4(1-)*C9H10BrN2(1+)

Conditions

Conditions	Yield
Stage #1: 5-bromo-1H-indazole; methyl iodide With sodium hydroxide In methanol at 100℃; Sealed tube; Stage #2: With perchloric acid In water at 20℃;	92%

: 53857-57-1
5-bromo-1H-indazole

: 100-53-8
phenylmethanethiol

: 5-(benzylthio)-1H-indazole

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 90℃; for 4h; Inert atmosphere;	92%
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 90℃; for 4h; Inert atmosphere;	92%

: 110-87-2
3,4-dihydro-2H-pyran

: 53857-57-1
5-bromo-1H-indazole

: 1178903-21-3
5-bromo-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane for 5h; regioselective reaction;	91.8%

: 53857-57-1
5-bromo-1H-indazole

: 192182-56-2
4-isoquinolineboronic acid

: 1610790-51-6
C16H11N3

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tripotassium phosphate "n" hydrate; XPhos In butan-1-ol at 100℃; for 18h; Inert atmosphere;	91.1%
With palladium diacetate; sodium carbonate; triphenylphosphine In 1,2-dimethoxyethane; water Suzuki Coupling;

: 53857-57-1
5-bromo-1H-indazole

: 36760-19-7
5-bromo-3-chloro-1H-indazole

Conditions

Conditions	Yield
With N-chloro-succinimide; 2,4,6-trimethylaniline In acetonitrile at 20℃; for 24h; Inert atmosphere;	91%
With 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one In N,N-dimethyl-formamide at 20℃; for 12h; regioselective reaction;	86%
With N-chloro-succinimide In acetonitrile at 65℃; for 3h;	48.7%

: 557-21-1
zinc(II) cyanide

: 53857-57-1
5-bromo-1H-indazole

: 74626-47-4
1H-indazole-5-carbonitrile

Conditions

Conditions	Yield
dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(dibenzylideneacetone)-palladium(0) In water; N,N-dimethyl-formamide at 150℃; for 0.75h; Sealed vial;	91%
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In water; N,N-dimethyl-formamide at 150℃; for 1.5h; Inert atmosphere; Microwave irradiation;	24%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 53857-57-1
5-bromo-1H-indazole

: 61700-61-6
1H-indazole-5-carboxylic acid

Conditions

Conditions	Yield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine; palladium dichloride In acetonitrile at 100℃; under 30003 Torr; for 18h;	90%

...Expand

: 53857-57-1
5-bromo-1H-indazole

: 5-bromo-4-nitro-1H-indazole

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In water at 0℃; for 1h;	90%

5-Bromoindazole Chemical Properties

IUPAC Name: 5-Bromo-1H-indazole
Molecular Formula: C₇H₅BrN₂
Molecular Weight: 197.03 g/mol
Canonical SMILES: C1=CC2=C(C=C1Br)C=NN2
InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Mol File: 53857-57-1.mol
Product Categories: pharmacetical; Halides;Fused Ring Systems; Halogenated Heterocycles; Heterocyclic Building Blocks; Indazoles; Building Blocks; Indazole
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Tautomer Count: 2
Exact Mass: 195.963611
MonoIsotopic Mass: 195.963611
Topological Polar Surface Area: 28.7
Heavy Atom Count: 10
Complexity: 129
Index of Refraction: 1.727
Molar Refractivity: 44.3 cm³
Molar Volume: 111.2 cm³
Polarizability: 17.56×10^-24cm³
Surface Tension: 64.4 dyne/cm
Density: 1.77 g/cm³
Flash Point: 155.7 °C
Enthalpy of Vaporization: 55.39 kJ/mol
Boiling Point: 333.8 °C at 760 mmHg
Melting Point: 131-135 °C(lit.)
Vapour Pressure of 5-Bromoindazole (CAS NO.53857-57-1): 0.000258 mmHg at 25 °C

5-Bromoindazole Safety Profile

Hazard Codes: Toxic T, Harmful Xn
Risk Statements: 25-36/37/38-22-41
R25: Toxic if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R22: Harmful if swallowed.
R41: Risk of serious damage to the eyes.
Safety Statements: 26-36-36/37/39-22-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S22: Do not breathe dust.
S39: Wear eye / face protection.
WGK Germany: 3
Hazard Note of 5-Bromoindazole (CAS NO.53857-57-1): Harmful

5-Bromoindazole Specification

5-Bromoindazole (CAS NO.), its Synonyms are 5-Bromo-1H-indazole ; 4-Bromoimidazole ; 5-Bromo-1H-indazole 97% ; 5-Bromo-1H-indazole ,98% .

Product Name

5-Bromoindazole

Synthetic route

5-Bromoindazole Chemical Properties

5-Bromoindazole Safety Profile

5-Bromoindazole Specification

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