2-Bromo-5-fluorobenzotrifluoride supplier

Name
2-Bromo-5-fluorobenzotrifluoride
EINECS
CAS No. 40161-55-5
Article Data7
CAS DataBase
Density 1.695 g/cm³
Solubility
Melting Point
Formula C₇H₃BrF₄
Boiling Point 160.4 °C at 760 mmHg
Molecular Weight 242.998
Flash Point 65.4 °C
Transport Information
Appearance
Safety 26-36/37/39-37-36
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms 5-Fluoro-2-bromobenzoTrifluoride;1-Bromo-2-(trifluoromethyl)-4-fluorobenzene;4-Fluoro-2-trifluoromethyl-phenylboronic acid;
PSA 0.00000
LogP 3.60700

Synthetic route

: 392-83-6
o-trifluoromethylphenyl bromide

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With potassium fluoride; potassium tetrafluorocobaltate In dimethyl sulfoxide for 5h; Reflux;	96.7%
Multi-step reaction with 3 steps 1.1: nitric acid; sulfuric acid / 50 - 60 °C 2.1: piperazine; hydrogen / methanol / 80 - 90 °C / 6000.6 - 7500.75 Torr 3.1: hydrogen fluoride; potassium fluoride; sodium nitrite / 0.5 h / -10 - 5 °C 3.2: 60 °C View Scheme

: 401-80-9
3-fluoro-trifluoromethylbenzene

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With ferric(III) bromide; sulfuric acid; tetrabutylammomium bromide; bromine; lithium bromide at 20 - 25℃; for 8h; Temperature;	93.09%
With N-Bromosuccinimide; sulfuric acid; tetrabutylammomium bromide; bromine; ammonium bromide at 20℃; under 760.051 Torr;	92.3%

: 393-36-2
4-bromo-3-(trifluoromethyl)aniline

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Stage #1: 4-bromo-3-(trifluoromethyl)aniline With potassium fluoride; hydrogen fluoride; sodium nitrite at -10 - 5℃; for 0.5h; Stage #2: at 60℃;	86.8%
Stage #1: 4-bromo-3-(trifluoromethyl)aniline With hydrogenchloride In water at 25℃; for 3h; Stage #2: With sodium nitrite In water at 0℃; Concentration; Reagent/catalyst; Solvent; Temperature; Further stages;	82%
With hydrogen fluoride; sodium nitrite at -10 - 125℃; for 1.5h; Autoclave;	80%

: 351-36-0
N-acetyl-3-trifluoromethylbenzenamine

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: acetic acid; hydrogen bromide; dihydrogen peroxide / 0.5 h / 25 °C / Inert atmosphere 2: hydrogenchloride / water / 90 °C 3: sodium nitrite; hydrogen fluoride / 1.5 h / -10 - 125 °C / Autoclave View Scheme
Multi-step reaction with 3 steps 1.1: sodium chlorate; acetic acid; iron; bromine / water / 11 h / 65 °C 2.1: sodium hydroxide / methanol / 5 h / 90 °C 3.1: hydrogenchloride / water / 3 h / 25 °C 3.2: 0 °C View Scheme

: 41513-05-7
N-(4-bromo-3-trifluoromethylphenyl)acetamide

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 90 °C 2: sodium nitrite; hydrogen fluoride / 1.5 h / -10 - 125 °C / Autoclave View Scheme

: 98-16-8
3-trifluoromethylaniline

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: tetrahydrofuran / 1 h / 60 °C 2.1: sodium chlorate; acetic acid; iron; bromine / water / 11 h / 65 °C 3.1: sodium hydroxide / methanol / 5 h / 90 °C 4.1: hydrogenchloride / water / 3 h / 25 °C 4.2: 0 °C View Scheme

: 88-17-5
2-(trifluoromethyl)benzenamine

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: hydrogen bromide; sodium nitrite / water / 0.33 h / 0 - 5 °C 1.2: 0.33 h / 20 °C 2.1: nitric acid; sulfuric acid / 50 - 60 °C 3.1: piperazine; hydrogen / methanol / 80 - 90 °C / 6000.6 - 7500.75 Torr 4.1: hydrogen fluoride; potassium fluoride; sodium nitrite / 0.5 h / -10 - 5 °C 4.2: 60 °C View Scheme

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 75336-86-6
(2R)-methylpiperazine

: 946399-84-4
(3R)-1-(4-fluoro-2-(trifluoromethyl)phenyl)-3-methylpiperazine

Conditions

Conditions	Yield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene Buchwald amination; regioselective reaction;	100%
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 100℃; for 5h; Inert atmosphere;	99%
With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 105℃; for 3.5h; Inert atmosphere;	98%
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 100℃; for 5h; Buchwald amination;	73%
With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 100 - 110℃; for 3 - 5h; Product distribution / selectivity;	33.6%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 946399-68-4
tert-butyl 4-(4-fluoro-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate

Conditions

Conditions	Yield
With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 110℃; for 0.5h; Microwave irradiation;	100%
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 110℃; for 0.5h; Buchwald amination; Microwave irradiation;	100%
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 100℃; for 16h; Inert atmosphere;	83%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 79-30-1
isobutyryl chloride

: 1-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpropan-1-one

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With isopropylmagnesium chloride In tetrahydrofuran; tert-butyl methyl ether at 20℃; for 1.5h; Inert atmosphere; Stage #2: isobutyryl chloride In tert-butyl methyl ether at 20℃; for 3h; Inert atmosphere;	97.6%
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With isopropylmagnesium chloride In tetrahydrofuran; toluene at 25 - 30℃; for 1h; Large scale; Stage #2: isobutyryl chloride With copper(l) chloride In tetrahydrofuran; toluene at 25 - 40℃; for 1.5h; Temperature; Large scale;

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 75-36-5
acetyl chloride

: 1-(4-fluoro-2-(trifluoromethyl)phenyl)ethan-1-one

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With isopropylmagnesium chloride In tetrahydrofuran; tert-butyl methyl ether at 25 - 30℃; for 0.5h; Large scale; Stage #2: acetyl chloride With copper(l) chloride In tetrahydrofuran; tert-butyl methyl ether at 38 - 42℃; for 1h; Solvent; Temperature; Reagent/catalyst; Large scale;	96.4%
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With isopropyl chloride; magnesium; isopropyl bromide In tetrahydrofuran; toluene at 20 - 60℃; Stage #2: acetyl chloride With copper(l) chloride In tetrahydrofuran; toluene at -5℃; for 2h; Temperature;

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1622308-34-2
(E)-tert-butyl 3-(4-((6-methoxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylate

: 1622308-62-6
(E)-tert-butyl 3-(4-((2-(4-fluoro-2-(trifluoromethyl)phenyl)-6-methoxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylate

Conditions

Conditions	Yield
With chloro[2-(dicyclohexylphosphino)-3 ,6-dimethoxy-2’,4’, 6’-triisopropyl- 1,1’-biphenyl] [2-(2-aminoethyl)phenyl]palladium(II); potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 150℃; for 2h; Microwave irradiation; Sealed tube; Inert atmosphere;	94%

: 124-38-9
carbon dioxide

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 141179-72-8
4-fluoro-2-trifluoromethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With iodine; magnesium In tetrahydrofuran at 50℃; for 1h; Inert atmosphere; Cooling; Stage #2: carbon dioxide In tetrahydrofuran at 5 - 25℃; for 2h; Solvent; Temperature; Inert atmosphere;	90%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 106-48-9
4-chloro-phenol

: 1417782-30-9
1-bromo-4-(4-chlorophenoxy)-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
Stage #1: 4-chloro-phenol With potassium hydroxide In 1-methyl-pyrrolidin-2-one at 120℃; for 1h; Inert atmosphere; Stage #2: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene In 1-methyl-pyrrolidin-2-one at 140℃; for 5h; Inert atmosphere;	87.99%
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 5h;	3.14 g

: 71-23-8
propan-1-ol

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1186482-11-0
1-bromo-4-propoxy-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With sodium hydride In mineral oil at 20 - 145℃; Microwave irradiation; Sealed tube;	86%
Stage #1: propan-1-ol With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; potassium tert-butylate In toluene at 50℃; for 0.5h; Inert atmosphere; Stage #2: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene In toluene at 50℃; for 0.5h; Inert atmosphere;

: 121-43-7
Trimethyl borate

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: (4-fluoro-2-(trifluoromethyl)phenyl)boronic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; hexane at -30℃; Inert atmosphere; Flow reactor; Stage #2: Trimethyl borate In tetrahydrofuran; hexane at -30℃; Inert atmosphere; Flow reactor;	85%

: 40499-83-0
pyrrolidin-3-ol

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1198181-18-8
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Conditions

Conditions	Yield
With caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 85℃; for 16h; Inert atmosphere;	84%
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In toluene at 85℃; for 16h; Inert atmosphere;	84%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 87199-16-4
3-Formylphenylboronic acid

: 955930-75-3
C14H8F4O

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 80℃; for 5h; Inert atmosphere;	77%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 73183-34-3
bis(pinacol)diborane

: C13H14BBrF4O2

Conditions

Conditions	Yield
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Glovebox;	71%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Glovebox;	71%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: N-((1r,4r)-4-hydroxy-4-methylcyclohexyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

: 4’-fluoro-N-((1r,4r)-4-hydroxy-4-methylcyclohexyl)-2’-(trifluoromethyl)biphenyl-4-sulfonamide

Conditions

Conditions	Yield
With dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium; sodium carbonate In 1,4-dioxane; water at 110℃; for 6h; Inert atmosphere;	47%

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1-[4'-fluoro-2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 1-(3-bromophenyl)-5-methyl-1H-pyrazole-3-carboxamide With 4,4,5,5-tetramethyl-2-(3,3,4,4-tetramethylborolan-1-yl)-1,3,2-dioxaborolane; potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In dimethyl sulfoxide at 140℃; for 0.333333h; Microwave irradiation; Stage #2: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In water; dimethyl sulfoxide at 140℃; for 0.777778h; Microwave irradiation;	41%

Yield

Stage #1: 1-(3-bromophenyl)-5-methyl-1H-pyrazole-3-carboxamide With 4,4,5,5-tetramethyl-2-(3,3,4,4-tetramethylborolan-1-yl)-1,3,2-dioxaborolane; potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In dimethyl sulfoxide at 140℃; for 0.333333h; Microwave irradiation;
Stage #2: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In water; dimethyl sulfoxide at 140℃; for 0.777778h; Microwave irradiation;

41%

: 64-18-6
formic acid

: 1258861-52-7
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: [4-fluoro-2-(trifluoromethyl)phenyl]-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-4-piperidyl]ammonium formate

Conditions

Conditions	Yield
Stage #1: 1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine; 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,4-dioxane at 110℃; Inert atmosphere; Stage #2: formic acid In acetonitrile	13%

...Expand

: N-2-adamantyl-morpholine-2-carboxyamide hydrochloride

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: N-2-adamantyl-4-(4-fluoro-2-trifluorophenyl)morpholine-2-carboxyamide

Conditions

Conditions	Yield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 100℃; for 5h;	10%

: 652170-12-2
4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-3-piperidinol hydrochloride

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 4-[N-[1-[N-(benzofuran-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-(4-fluoro-2-trifluoromethylphenyl)piperidin-3-ol

Conditions

Conditions	Yield
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 100℃; for 4h;

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 917391-24-3
2-bromo-5-fluoro-1-nitro-3-trifluoromethyl-benzene

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene With sulfuric acid; sulfur trioxide; potassium nitrate In dichloromethane at 20 - 30℃; for 25h; Stage #2: With sodium hydrogencarbonate In dichloromethane; water

: 542-59-6
2-hydroxyethyl acetate

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 955929-82-5
2-[4-bromo-3-(trifluoromethyl)phenoxy]ethanol

Conditions

Conditions	Yield
Stage #1: 2-hydroxyethyl acetate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene In N,N-dimethyl-formamide at 20℃; for 1.5h;

: 1000689-11-1
(2,3-dihydrobenzo[1,4]oxazin-4-yl)[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,5-dihydropyrrol-1-yl]methanone

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1000689-12-2
(2,3-dihydrobenzo[1,4]oxazin-4-yl)[3-(4-fluoro-2-(trifluoromethyl)phenyl)-2,5-dihydropyrrol-1-yl]methanone

Conditions

Conditions	Yield
With sodium carbonate In 1,2-dimethoxyethane; water for 14h; Heating / reflux;

: 542-59-6
2-hydroxyethyl acetate

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 955932-76-0
C11H10BrF3O3

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h;

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1198180-38-9
({1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl}oxy)acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: caesium carbonate / palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 16 h / 85 °C / Inert atmosphere 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 60 °C 2.2: 1 h / 60 °C View Scheme
Multi-step reaction with 2 steps 1.1: caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / palladium diacetate / toluene / 16 h / 85 °C / Inert atmosphere 2.1: sodium hydride / N,N-dimethyl-formamide; oil / 0.5 h / 60 °C 2.2: 1 h / 60 °C View Scheme

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1692-15-5
4-pyridylboronic acid

: 1214345-41-1
4-(4-fluoro-6-trifluoromethylphenyl)pyridine

Conditions

Conditions	Yield
With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 85℃; for 10h;

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1219454-46-2
4-(4-fluoro-6-trifluoromethylphenyl)pyridine-N-oxide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 10 h / 85 °C 2: 3-chloro-benzenecarboperoxoic acid / chloroform / 6 h / 0 °C View Scheme

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1219454-47-3
4-(4-fluoro-6-trifluoromethylphenyl)pyridine-2-carbonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate / tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 10 h / 85 °C 2: 3-chloro-benzenecarboperoxoic acid / chloroform / 6 h / 0 °C 3: triethylamine / acetonitrile / 14 h / 90 °C View Scheme

: 40161-55-5
1-bromo-4-fluoro-2-(trifluoromethyl)benzene

: 1219454-48-4
4-(4-fluoro-6-trifluoromethylphenyl)pyridine-2-carboxamide oxime

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium carbonate / tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 10 h / 85 °C 2: 3-chloro-benzenecarboperoxoic acid / chloroform / 6 h / 0 °C 3: triethylamine / acetonitrile / 14 h / 90 °C 4: hydroxylamine hydrochloride; sodium hydrogencarbonate / ethanol / 3 h / 20 °C View Scheme

2-Bromo-5-fluorobenzotrifluoride Specification

The IUPAC name of 2-Bromo-5-fluorobenzotrifluoride is 1-bromo-4-fluoro-2-(trifluoromethyl)benzene. With the CAS registry number 40161-55-5, it is also named as 4-Fluoro-2-trifluoromethyl-phenylboronic acid. The product's categories are Trifluoromethylbenzene Series; Fluorobenzene; Miscellaneous; Bromine Compounds; Fluorine Compounds; Benzotrifluoride Series; Aryl; C7; Halogenated Hydrocarbons. Besides, it is liquid, which should be stored in sealed place below 0 °C. In addition, its molecular formula is C₇H₃BrF₄ and molecular weight is 243.00.

The other characteristics of 2-Bromo-5-fluorobenzotrifluoride can be summarized as: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 181.89; (6)ACD/BCF (pH 7.4): 181.89; (7)ACD/KOC (pH 5.5): 1442.71; (8)ACD/KOC (pH 7.4): 1442.71; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 38.91 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 15.42×10^-24cm³; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 1.695 g/cm³; (19)Flash Point: 65.4 °C; (20)Enthalpy of Vaporization: 38.07 kJ/mol; (21)Boiling Point: 160.4 °C at 760 mmHg; (22)Vapour Pressure: 3.1 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1cc(F)ccc1Br
(2)InChI: InChI=1/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
(3)InChIKey: AIDVAZGOACECLJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
(5)Std. InChIKey: AIDVAZGOACECLJ-UHFFFAOYSA-N

Product Name

2-Bromo-5-fluorobenzotrifluoride

Synthetic route

2-Bromo-5-fluorobenzotrifluoride Specification

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