3-Bromoaniline supplier | CasNO.591-19-5

Name
3-Bromoaniline
EINECS 209-704-4
CAS No. 591-19-5
Article Data165
CAS DataBase
Density 1.594 g/cm³
Solubility insoluble in water
Melting Point 16.8 °C
Formula C₆H₆BrN
Boiling Point 251 °C at 760 mmHg
Molecular Weight 172.024
Flash Point 101.2 °C
Transport Information UN 2810 6.1/PG 2
Appearance Colourless Liquid
Safety 28-36/37/39-45-26
Risk Codes 23/24/25-33-38-36/37/38-20/21/22
Molecular Structure
Hazard Symbols T, Xn, Xi
Synonyms Aniline,m-bromo- (8CI);(3-Bromophenyl)amine;(m-Bromophenyl)amine;1-Amino-3-bromobenzene;3-Amino-1-bromobenzene;3-Bromobenzenamine;m-Aminobromobenzene;
PSA 26.02000
LogP 2.61250

Synthetic route

: 585-79-5
3-Bromonitrobenzene

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With hydrazine In ethanol at 80℃; for 0.333333h; Catalytic behavior; chemoselective reaction;	99.5%
With hydrogen In water at 120℃; under 15001.5 Torr; for 5h; Green chemistry; chemoselective reaction;	99%
With sodium tetrahydroborate In methanol at 25℃; for 1h; Sealed tube;	98%

: 591-18-4
1-Bromo-3-iodobenzene

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With copper(l) iodide; ascorbic acid In ammonia at 25℃; for 18h; liquid NH3;	99%
With copper(I) oxide; ammonium hydroxide; C17H14N2O3; potassium hydroxide In ethanol at 60℃; for 24h; Schlenk technique; Inert atmosphere;	93%
With iron(III) oxide; sodium hydroxide; copper(l) iodide; ammonia In ethanol; water at 90℃; for 16h;	89%
With acetamidine hydrochloride; caesium carbonate In N,N-dimethyl-formamide at 130℃; for 20h; Inert atmosphere; Green chemistry;	72%

: 25216-74-4
tert-butyl (3-bromophenyl)carbamate

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With molecular sieve; boron trifluoride diethyl etherate In dichloromethane Ambient temperature;	98%

: 63213-03-6, 15426-17-2
1,2-bis(3-bromophenyl)diazene

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With potassium hydroxide; nickel-incorporated hexagonal mesoporous aluminophosphate In isopropyl alcohol at 82.84℃; for 1.5h;	90%
With potassium hydroxide; isopropyl alcohol; molecular sieve at 82.84℃; for 3h;	85 % Chromat.

: 621-38-5
3-bromoacetanilide

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
Stage #1: 3-bromoacetanilide With Schwartz's reagent In tetrahydrofuran at 20℃; for 0.05h; Inert atmosphere; Stage #2: With water In tetrahydrofuran Inert atmosphere;	90%

: C17H16BrN3O2

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With hydrogenchloride; water at 190℃; for 3h;	78%

: 2142-63-4
1-(3-Bromophenyl)ethanone

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With methanol; O-benzenesulfonyl-acetohydroxamic acid ethyl ester; toluene-4-sulfonic acid for 24h; Inert atmosphere; Reflux;	78%

: 22726-00-7
3-bromobenzamide

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With sodium hydroxide; benzyltrimethylazanium tribroman-2-uide In water for 1h; Ambient temperature;	76%
With potassium hypobromite at 70 - 75℃;
Multi-step reaction with 2 steps 1: alkaline aqueous sodium hypobromite solution 2: aqueous NaOH-solution View Scheme

: 111762-31-3
3-bromophenyl magnesium bromide

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
Stage #1: 3-bromophenyl magnesium bromide With zinc(II) chloride In tetrahydrofuran at -3℃; for 0.0833333h; Stage #2: With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone In tetrahydrofuran at 20℃; for 3h; Stage #3: With hydrogenchloride In tetrahydrofuran at 20℃; for 4h;	70%

: 2039-86-3
3-bromostyrene

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With methanesulfonic acid; trimethylsilylazide In tetrachloromethane at 80℃; for 4h;	70%

: 40887-80-7
3-bromophenylhydrazine

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In methanol at 20℃; for 0.5h;	65%

: 915923-02-3
2-(3-bromophenoxy)propanamide

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 140℃; for 4h; Green chemistry;	65%

: 62-53-3
aniline

A: 591-19-5
3-bromoaniline

B: 106-40-1
4-bromo-aniline

C: 615-36-1
2-bromoaniline

Conditions

Conditions	Yield
With bromine; hydrogen fluoride; antomony(V) at -40℃; for 0.25h;	A 29% B 62% C 3%
With bromine; hydrogen fluoride; antomony(V) at -40℃; for 0.25h; Mechanism; Product distribution; dependence of product distribution on ammount of catalyst;

...Expand

: 60670-67-9
C15H12Br2N2

A: 51217-98-2
β-(m-Bromanilino)acrolein

B: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With water; sodium acetate; acetic acid In ethanol at 70℃; for 38h;	A 30% B 61%

: 89598-96-9
(3-bromophenyl)boronic acid

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With O-(2,4-dinitrophenyl)hydroxylamine In toluene at 50℃; for 24h; Inert atmosphere;	54%
With copper(I) oxide; ammonium hydroxide In water for 0.0833333h; Microwave irradiation;

: 64-17-5
ethanol

: 585-79-5
3-Bromonitrobenzene

A: 53142-19-1
3-bromo-bisethyl-aminobenzene

B: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With Au NCs/TiO2 for 4h; Kinetics; Reagent/catalyst; Inert atmosphere; UV-irradiation;	A 21.3% B 52.1%

...Expand

: 108-86-1
bromobenzene

A: 591-19-5
3-bromoaniline

B: 106-40-1
4-bromo-aniline

C: 615-36-1
2-bromoaniline

Conditions

Conditions	Yield
With tris-(2-chloro-ethyl)-amine; trifluorormethanesulfonic acid; trifluoroacetic acid In chloroform at 60℃; for 3h;	A 10% B 25% C 30%
With hydroxylamine-O-sulfonic acid; iron(II) sulfate In water; acetic acid at 40℃; for 2h; Yield given. Yields of byproduct given;
With hydroxylamine-O-sulfonic acid; iron(II) sulfate In water; acetic acid at 40℃; for 2h; Product distribution; Mechanism; k(C6H5Br)/k(C6H6);

...Expand

: 623-11-0
1-methyl-4-nitrosobenzene

: 33322-41-7
3-bromo-benzoic acid bromoamide

A: 585-76-2
m-bromobenzoic acid

B: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
at 30℃; Kinetics;

...Expand

: 585-76-2
m-bromobenzoic acid

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With PPA; hydroxylamine
With thionyl chloride; hydroxylamine-O-sulfonic acid 1) 1h, reflux, 2) toluene, 4h, reflux; Yield given. Multistep reaction;

: 585-79-5
3-Bromonitrobenzene

A: 591-19-5
3-bromoaniline

B: 63213-03-6, 15426-17-2
1,2-bis(3-bromophenyl)diazene

Conditions

Conditions	Yield
With potassium hydroxide; palladium on activated charcoal; hydrazine

: 33322-41-7
3-bromo-benzoic acid bromoamide

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With sodium hydroxide

: 49755-06-8
N,N'-bis-(3-bromo-phenyl)-formamidine

: 102-01-2
N-phenylacetoacetamide

A: 2-acetyl-3-(3-bromo-anilino)-acrylic acid anilide

B: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
at 140℃;

...Expand

: 75-18-3
dimethylsulfide

: 2101-89-5
1-azido-3-bromobenzene

A: 20901-65-9
4-amino-2-bromophenyl methyl sulphide

B: 2-amino-6-bromophenyl methyl sulphide

C: 139192-88-4
2-amino-4-bromophenyl methyl sulphide

D: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; trifluoroacetic acid at 25℃; for 4h;	A 18 % Chromat. B 18 % Chromat. C 23 % Chromat. D 25 % Chromat.
With trifluorormethanesulfonic acid; trifluoroacetic acid at 25℃; for 4h; Title compound not separated from byproducts;	A 18 % Chromat. B 18 % Chromat. C 23 % Chromat. D 25 % Chromat.

...Expand

: 61579-06-4
N-(3-bromo-phenyl)-3-oxo-butyramide

A: 674-82-8
4-methyleneoxetan-2-one

B: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
In cyclohexane at 25℃; Equilibrium constant;

: 608-22-0
3-amino-1,2-dibromobenzene

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With hydrogenchloride; 2H(1+)2H3NCl3Cu(2-) In acetic acid at 90℃; Rate constant; other solvent, other temp., other Cu(I) complex;

: 608-22-0
3-amino-1,2-dibromobenzene

A: 823-54-1
3-bromo-4-chloroaniline

B: 615-55-4
3,4-dibromoaniline

C: 642-95-5
2,3,4-tribromoaniline

D: 2,3-dibromo-4-chloroaniline

E: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With copper(l) chloride In hydrogenchloride; acetic acid at 90℃; Rate constant;

...Expand

: 608-22-0
3-amino-1,2-dibromobenzene

A: 642-95-5
2,3,4-tribromoaniline

B: 2,3-dibromo-4-chloroaniline

C: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With hydrogenchloride; copper(l) chloride In acetic acid at 90℃; for 45h; CuCl2;

...Expand

: 91166-51-7
1-(3-bromophenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With methanol; toluene-4-sulfonic acid In diethyl ether Yield given;

: 107986-35-6
N-(3-bromophenyl)-O-pivaloylhydroxylamine

A: 3958-82-5
2-bromo-1,4-benzoquinone

B: 16750-67-7
4-amino-2-bromophenol

C: 823-54-1
3-bromo-4-chloroaniline

D: 591-19-5
3-bromoaniline

Conditions

Conditions	Yield
With hydrogenchloride In water; acetonitrile at 40℃; Mechanism; Rate constant;	A 15.1 % Chromat. B 0.2 % Chromat. C 3.3 % Chromat. D 33 % Chromat.

...Expand

: 108-24-7
acetic anhydride

: 591-19-5
3-bromoaniline

: 621-38-5
3-bromoacetanilide

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 10 - 20℃; for 4h;	100%
With sulfuric acid at 0 - 20℃; for 0.0833333h;	99%
With sulfuric acid for 0.0833333h;	98%

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 591-19-5
3-bromoaniline

: 351893-47-5
ethyl α-carbethoxy-β-m-bromoanilinoacrylate

Conditions

Conditions	Yield
at 90 - 110℃; for 1h;	100%
In toluene at 110℃; for 24h;	100%
In toluene for 1h; Inert atmosphere; Reflux;	91%

: 98-59-9
p-toluenesulfonyl chloride

: 591-19-5
3-bromoaniline

: 7510-48-7
N-(3-bromophenyl)-4-methyl-benzenesulfonamide

Conditions

Conditions	Yield
With pyridine for 0.333333h; Tosylation; Heating;	100%
With pyridine at 0 - 20℃; for 10h;	99%
for 0.1h; microwave irradiation;	88%

: 591-80-0
pent-4-enoic acid

: 591-19-5
3-bromoaniline

: 263546-11-8
pent-4-enoic acid (3-bromo-phenyl)-amide

Conditions

Conditions	Yield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane	100%
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide Acylation;

: 591-19-5
3-bromoaniline

: 98-80-6
phenylboronic acid

: 2243-47-2
3-biphenyl amine

Conditions

Conditions	Yield
With sodium carbonate; palladium diacetate In methanol Heating / reflux;	100%
With palladium diacetate; sodium carbonate In methanol Suzuki Coupling; Reflux; Inert atmosphere;	100%
With palladium diacetate; sodium carbonate In methanol Reflux;	100%

: 32315-10-9
bis(trichloromethyl) carbonate

: 591-19-5
3-bromoaniline

: 23138-55-8
3-Bromophenyl isocyanate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%
With triethylamine In toluene for 7h; Reflux; Cooling with ice;	70.7%
With triethylamine In benzene for 3h; Heating;

: 51940-64-8
ethyl 2,4-dichloropyrimidine-5-carboxylate

: 591-19-5
3-bromoaniline

: 227449-16-3
ethyl 4-(3-bromoanilino)-2-chloropyrimidine-5-carboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile for 1h; Heating;	100%

: 50-00-0
formaldehyd

: 591-19-5
3-bromoaniline

: 16518-62-0
3-bromo-N,N-dimethylaniline

Conditions

Conditions	Yield
Stage #1: formaldehyd With sulfuric acid In tetrahydrofuran; water at 0℃; for 0.166667h; Stage #2: m-Bromoaniline With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 1h;	100%
Stage #1: formaldehyd With sulfuric acid In tetrahydrofuran; water at 0℃; for 0.166667h; Stage #2: m-Bromoaniline In tetrahydrofuran; water for 0.333333h; Stage #3: With sodium tetrahydroborate In tetrahydrofuran; water at 0 - 20℃; for 1.5h;	98%
With sodium tetrahydroborate; sulfuric acid In tetrahydrofuran; water Inert atmosphere;	94%

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

: 591-19-5
3-bromoaniline

: 25216-74-4
tert-butyl (3-bromophenyl)carbamate

Conditions

Conditions	Yield
In sodium hydroxide	100%
In sodium hydroxide	100%
In dichloromethane at 20℃; for 18h; Inert atmosphere;	100%

: 591-19-5
3-bromoaniline

: 2101-89-5
1-azido-3-bromobenzene

Conditions

Conditions	Yield
Stage #1: m-Bromoaniline With hydrogenchloride In water at 0℃; Stage #2: With sodium nitrite In water at 0℃; for 0.333333h; Stage #3: With sodium azide In water at 0℃; for 3h;	100%
Stage #1: m-Bromoaniline With hydrogenchloride In water at 0 - 5℃; for 0.5h; Stage #2: With sodium azide; sodium nitrite In water at 0 - 5℃; for 1h;	97%
Stage #1: m-Bromoaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With sodium azide In water at 0℃; for 1h;	94.5%

: C14H24O2

: 591-19-5
3-bromoaniline

: 896155-75-2
C20H30BrNO2

Conditions

Conditions	Yield
In toluene Heating;	100%

: 39263-34-8
N′-(2-cyano-4-nitrophenyl)-N,N-dimethylformimidamide

: 591-19-5
3-bromoaniline

: 169205-77-0
6-nitro-4-(3-bromophenylaniline)quinazoline

Conditions

Conditions	Yield
In acetic acid at 148℃; for 1.5h;	100%
With acetic acid for 2h; Reflux;	93%
With acetic acid Reflux;	85%

: 948551-62-0
C11H11ClN2O3

: 591-19-5
3-bromoaniline

: 295330-64-2
4-[(3-bromo-phenyl)amino]-6-methylcarbonyloxy-7-methoxy-quinazoline

Conditions

Conditions	Yield
In isopropyl alcohol at 110℃; for 3h;	100%

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

: 591-19-5
3-bromoaniline

A H-t-Boc-3-bromoaniline: H-t-Boc-3-bromoaniline

B: 25216-74-4
tert-butyl (3-bromophenyl)carbamate

Conditions

Conditions	Yield
In sodium hydroxide	A 100% B n/a

...Expand

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

: 591-19-5
3-bromoaniline

A Z-O-Methyl-4-[(3-(4-(N', N'-dimethylaminocarbonyl-N-methylamino)-benzylamino)phenyl)oximinomethyl]tetrahydropyran: Z-O-Methyl-4-[(3-(4-(N', N'-dimethylaminocarbonyl-N-methylamino)-benzylamino)phenyl)oximinomethyl]tetrahydropyran

B: 25216-74-4
tert-butyl (3-bromophenyl)carbamate

Conditions

Conditions	Yield
In sodium hydroxide	A 100% B n/a

...Expand

: 5720-06-9
2-Methoxyphenylboronic acid

: 591-19-5
3-bromoaniline

: 96923-01-2
3-amino-2'-methoxybiphenyl

Conditions

Conditions	Yield
With potassium carbonate; bis(tri-t-butylphosphine)palladium(0) In methanol; water; toluene at 135℃; for 0.583333h; Irradiation;	100%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; N,N-dimethyl-formamide at 80℃; for 16h; Sealed tube;	100%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 80℃; for 8h; Suzuki Coupling; Inert atmosphere;

: 591-19-5
3-bromoaniline

: 2564-03-6
[(3-bromophenyl)-aminocarbonylmethyl]chloride

Conditions

Conditions	Yield
	100%

: 514225-29-7
N-[4-chloro-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide

: 591-19-5
3-bromoaniline

: 514225-35-5
N-{4-(3-bromophenylamino)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl}-2,2-dimethylpropanamide

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol Heating;	100%

: 106-95-6
allyl bromide

: 591-19-5
3-bromoaniline

: N,N-diallyl-3-bromobenzene amine

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water at 70℃; for 14h;	100%
With potassium carbonate In acetonitrile at 100℃; for 29h;	95%
With potassium carbonate In acetonitrile at 80℃; Inert atmosphere;	93%

: 2033-24-1
cycl-isopropylidene malonate

: 591-19-5
3-bromoaniline

trialkyl orthoformate: trialkyl orthoformate

: 723280-91-9
5-(((3-bromophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
Stage #1: cycl-isopropylidene malonate; trialkyl orthoformate for 1h; Reflux; Stage #2: m-Bromoaniline for 2h; Reflux;	100%

...Expand

: 598-21-0
2-Bromoacetyl bromide

: 591-19-5
3-bromoaniline

: 2-bromo-N-(3'-bromophenyl)acetamide

Conditions

Conditions	Yield
With triethylamine at 0℃; for 1h; Inert atmosphere;	100%
With triethylamine In dichloromethane at 0℃; for 1.25h; Inert atmosphere;	99%
at -77℃;
With sodium hydrogencarbonate In ethyl acetate at 0 - 20℃;

: 777-44-6
3-(Trifluoromethyl)benzenesulfonyl chloride

: 591-19-5
3-bromoaniline

: N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 50℃;	100%
With pyridine In dichloromethane at 0 - 20℃; for 16h;	83%

: 591-19-5
3-bromoaniline

: 73183-34-3
bis(pinacol)diborane

: 210907-84-9
3-aminophenylboronic acid pinacolate

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane for 2.75h; Inert atmosphere; Reflux;	100%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane for 2.75h; Inert atmosphere; Reflux;	100%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 110℃; for 2.75h; Inert atmosphere;	99%

: 96-48-0
4-butanolide

: 591-19-5
3-bromoaniline

: 38348-83-3
1-(3-bromophenyl)-2-pyrrolidinone

Conditions

Conditions	Yield
With hydrogenchloride In water at 160℃; for 36h;	100%

: 75-36-5
acetyl chloride

: 591-19-5
3-bromoaniline

: 621-38-5
3-bromoacetanilide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 2h;	99.3%
With triethylamine In dichloromethane at 0℃; for 2h;	99.3%
With triethylamine In dichloromethane at 0℃; for 2h;	99.3%

: 591-19-5
3-bromoaniline

: 109-77-3
malononitrile

: 191353-20-5
2-[(3-bromophenyl)-hydrazono]malononitrile

Conditions

Conditions	Yield
Stage #1: m-Bromoaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: malononitrile With sodium acetate In water at 0℃; for 2h;	99%
Stage #1: m-Bromoaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: malononitrile With sodium acetate In water at 0℃; for 2h;	97%
Stage #1: m-Bromoaniline With hydrogenchloride; sodium nitrite at 20℃; for 0.166667h; Stage #2: malononitrile With sodium acetate In methanol at 0 - 20℃; for 3.5h;	30%

: 172975-69-8
3,5-dimethylphenyl boronic acid

: 591-19-5
3-bromoaniline

: 783325-73-5
3-amino-3',5'-dimethylbiphenyl

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium (0); tri-tert-butyl phosphine; cesium fluoride In tetrahydrofuran at 20℃; for 2h; Suzuki coupling;	99%
With cesium fluoride; tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine In tetrahydrofuran at 20℃; for 2h; Suzuki Coupling;	99%

: 288-32-4
1H-imidazole

: 591-19-5
3-bromoaniline

: 112677-67-5
3-(1H-imidazol-1-yl)aniline

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; L-proline; PS[DMVBIM][Pro] In dimethyl sulfoxide at 120℃; for 60h;	99%
With copper(l) iodide; potassium carbonate; heptakis(6-amino-6-deoxy)-β-cyclodextrin In dimethyl sulfoxide at 110℃; for 36h; Sealed tube;	90%
With copper(I) oxide; 4,7-dimethoxy-1,10-phenanthroline; caesium carbonate; ethylene glycol; poly(ethylene glycol) In various solvent(s) at 110℃; for 20h;	88%

: 591-19-5
3-bromoaniline

: 371766-08-4
isoquinoline 5-boronic acid

: 852570-79-7
1-amino-3-isoquinolylbenzene

Conditions

Conditions	Yield
Stage #1: m-Bromoaniline; isoquinoline 5-boronic acid With sodium carbonate; tetrakis-(triphenylphosphino)-palladium(0) In 1,2-dimethoxyethane for 48h; Suzuki cross-coupling reaction; Heating; Stage #2: In tetrahydrofuran for 1h;	99%

3-Bromoaniline Chemical Properties

IUPAC Name: 3-Bromoaniline
Molecular Formula: C₆H₆BrN
Molecular Weight: 172.02 g/mol
Canonical SMILES: c1c(cccc1Br)N
InChI: InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
EINECS: 209-704-4
Product Categories: Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Aromatics Compounds; Anilines, Amides & Amines; Bromine Compounds; Aromatics;Phenyls & Phenyl-Het; C2 to C6; Nitrogen Compounds
Water Solubility: insoluble
XLogP3: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.625
Molar Refractivity: 38.17 cm³
Molar Volume: 107.8 cm³
Polarizability: 15.13×10^-24 cm³
Surface Tension: 47.7 dyne/cm
Density: 1.594 g/cm³
Flash Point: 101.2 °C
Enthalpy of Vaporization: 48.83 kJ/mol
Boiling Point: 251 °C at 760 mmHg
Melting Point: 16.8 °C
Water Solubility: 968 mg/L at 25 °C
Henry's Law Constant: 7.59E-07 atm-m³/mole at 25 °C
Atmospheric OH Rate Constant: 6.78E-11 cm³/molecule-sec at 25 °C
Vapour Pressure of 3-Bromoaniline (CAS NO.591-19-5): 0.021 mmHg at 25 °C

3-Bromoaniline Uses

3-Bromoaniline (CAS NO.591-19-5) is used as organic synthesis intermediates.

3-Bromoaniline Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	intraperitoneal	140mg/kg (140mg/kg)		Toxicologist. Vol. 14, Pg. 66, 1994.

3-Bromoaniline Safety Profile

Hazard Codes: Toxic T, Irritant Xi, Harmful Xn
Risk Statements: 23/24/25-33-38-36/37/38-20/21/22
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R33: Danger of cumulative effects.
R38: Irritating to skin.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37/39-45-26
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2810 6.1/PG
WGK Germany: 3
Hazard Note: Harmful/Irritant
HazardClass: 6.1
PackingGroup of 3-Bromoaniline (CAS NO.591-19-5): III

3-Bromoaniline Specification

3-Bromoaniline (CAS NO.591-19-5), its Synonyms are 3-Bromobenzenamine ; Aniline, m-bromo- ; m-Aminobromobenzene ; m-Bromoaniline ; Aniline, m-bromo- (8CI) ; Benzenamine, 3-bromo- . It is colourless liquid.

Product Name

3-Bromoaniline

Synthetic route

3-Bromoaniline Chemical Properties

3-Bromoaniline Uses

3-Bromoaniline Toxicity Data With Reference

3-Bromoaniline Safety Profile

3-Bromoaniline Specification

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