3-Bromo-4-fluorobenzaldehyde supplier

Name
3-Bromo-4-fluorobenzaldehyde
EINECS 278-764-1
CAS No. 77771-02-9
Article Data15
CAS DataBase
Density 1.67 g/cm³
Solubility INSOLUBLE
Melting Point 28-33 °C
Formula C₇H₄BrFO
Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 203.011
Flash Point 99 °C
Transport Information
Appearance white to light yellow low melting solid
Safety 26-36-37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms Benzaldehyde, 3-bromo-4-fluoro-;4--bromo-3-fluorobenzaldehyde;4-Fluoro-3-bromobenzaldehyde;3-bromo-4-fluoro-benzaldehyde;4-fluoro-3- bromobenzaldehyde;
PSA 17.07000
LogP 2.40070

Synthetic route

: 459-57-4
4-fluorobenzaldehyde

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With sulfuric acid; sulfur trioxide; bromine; iodine; zinc dibromide at 30 - 40℃; for 5.91667h; Product distribution / selectivity; Inert atmosphere;	97%
With hydrogenchloride; sodium hypochlorite solution; sodium bromide In dichloromethane; water at 20 - 25℃; for 1.5h; Irradiation;	91.9%
With bromine; aluminium trichloride In dichloromethane

: 77771-03-0
3-bromo-4-fluoro-benzyl alcohol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With dipotassium peroxodisulfate at 55℃; for 0.25h; Ionic liquid;	87%
With pyridine; hydrogenchloride In dichloromethane
With potassium dichromate; sulfuric acid In dichloromethane; water
With sodium hydroxide; nitric acid In water; toluene

: 2973-78-6
3-bromo-4-hydroxybenzylaldehyde

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With Cl(1-)C27H36ClN2(1+)Cs(1+)*F(1-) In toluene at 23 - 110℃; for 24h; Inert atmosphere;	61%

: 701914-09-2
2-bromo-1-fluoro-4-vinyl-benzene

A: 2-azido-1-(3-bromo-4-fluorophenyl)ethanone

B: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With trimethylsilylazide; oxygen; copper(II) bis(trifluoromethanesulfonate) at 20℃; for 18h; Overall yield = 75 %Spectr.;	A 54% B n/a

: 459-57-4
4-fluorobenzaldehyde

: 107-06-2
1,2-dichloro-ethane

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

Conditions

Conditions	Yield
With bromine; aluminium trichloride

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 1007-16-5
3-bromo-4-fluorobenzoic acid

Conditions

Conditions	Yield
With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene In tetrahydrofuran; water; tert-butyl alcohol at 20℃; for 3h;	100%
With oxygen; Langlois reagent In acetonitrile at 25℃; under 760.051 Torr; for 12h; Irradiation; Green chemistry;	96%
With sodium chlorite In tetrahydrofuran; water at 50℃; for 5h;	91%

: copper(l) cyanide

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 218301-22-5
2-fluoro-5-formylbenzonitrile

Conditions

Conditions	Yield
Stage #1: copper(l) cyanide; 3-bromo-4-fluorobenzaldehyde In 1-methyl-pyrrolidin-2-one at 170℃; for 24h; Stage #2: With celite In 1-methyl-pyrrolidin-2-one at 80℃; for 1h;	100%
In 1-methyl-pyrrolidin-2-one at 170℃; for 24h;	100%
In 1-methyl-pyrrolidin-2-one at 170℃;	65.4%
In 1-methyl-pyrrolidin-2-one at 170℃; for 24h;	52%
In 1-methyl-pyrrolidin-2-one at 25 - 170℃;

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 22483-09-6
2,2-dimethoxyethylamine

: 1036712-61-4
N-[(3-bromo-4-fluoro-phenyl)methyl]-2,2-dimethoxy-ethanamine

Conditions

Conditions	Yield
Stage #1: 3-bromo-4-fluorobenzaldehyde; 2,2-dimethoxyethylamine In toluene at 20℃; Inert atmosphere; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 2h; Inert atmosphere;	100%

: 5977-14-0
acetoacetamido

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 464192-73-2
6-(3-bromo-4-fluorophenyl)-5-cyano-3,6-dihydro-4-methyl-2-oxo-(2H)-pyrimidine

Conditions

Conditions	Yield
With urea	99%

: 18645-88-0
3-fluorobenzene-1,2-diamine

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: C14H9BrF2N2

Conditions

Conditions	Yield
With C23H3BF16N2O In toluene at 25℃; for 3h; Green chemistry;	99%

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: C14H9BrClFN2

Conditions

Conditions	Yield
With C23H3BF16N2O In toluene at 25℃; for 3h; Green chemistry;	99%

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 97004-04-1
5-(aminomethyl)-2-chloropyridine

: C13H11BrClFN2

Conditions

Conditions	Yield
Stage #1: 3-bromo-4-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;	98.1%

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

: 118486-94-5
2-(tributylstannyl)furan

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 359867-36-0
4-fluoro-3-(furan-2-yl)-benzaldehyde

Conditions

Conditions	Yield
tetrakis(triphenylphosphine)palladium (0) In diethyl ether; N,N-dimethyl-formamide	98%
tetrakis(triphenylphosphine)palladium (0) In diethyl ether; N,N-dimethyl-formamide	98%

...Expand

: 109-80-8
1.3-propanedithiol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 1035267-53-8
2-(3-bromo-4-fluorophenyl)-1,3-dithiane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 0℃; for 1.5h;	98%

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 762-04-9
phosphonic acid diethyl ester

: 101-79-1
4-amino-4'-chlorodiphenyl ether

: C23H23BrClFNO4P

Conditions

Conditions	Yield
With ZnBr2/SiO2 In neat (no solvent) for 0.0833333h; Kabachnik-Fields Reaction; Microwave irradiation; Green chemistry; chemoselective reaction;	98%

...Expand

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 79630-23-2
3-bromo-4-fluorobenzonitrile

Conditions

Conditions	Yield
With ammonium hydroxide; iodine In tetrahydrofuran at 5 - 20℃; Solvent; Reagent/catalyst;	97.5%

: 540-63-6
ethane-1,2-dithiol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 1262048-10-1
2-(3-bromo-4-fluorophenyl)-1,3-dithiolane

Conditions

Conditions	Yield
With iodine In dichloromethane at 20℃; for 1h;	97%

: 61260-15-9
dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 63964-50-1
2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylmethylene)-1-bromobenzene

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 30℃; for 6h; Solvent;	97%
With triethylamine In dichloromethane at 6 - 20℃; for 4h;	95%
With triethylamine In tetrahydrofuran at 0 - 20℃;	78.5%

: 2-(2,5-dimethylthiazol-4-yl)acetohydrazide

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: (E)-N'-(3-bromo-4-fluorobenzylidene)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetohydrazide

Conditions

Conditions	Yield
With acetic acid In ethanol	97%

: 146374-27-8
S-tert-butylsulfinimide

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: (E)-N-tert-butanesulfinyl 3-bromo-4-fluorophenyl-aldimine

Conditions

Conditions	Yield
With titanium(IV) tetraethanolate In tetrahydrofuran at 65℃; for 12h;	96%
With titanium(IV) tetraethanolate In tetrahydrofuran at 65℃; for 12h;	96%

: 177-11-7
4,4-ethylenedioxy-piperidine

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 3-bromo-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; acetonitrile	96%

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 762-04-9
phosphonic acid diethyl ester

: 109-77-3
malononitrile

: 1537917-45-5
[1-(3-bromo-4-fluorophenyl)-2,2-dicyanoethyl]phosphonic acid diethyl ester

Conditions

Conditions	Yield
With 1,4-diazabicyclo[2.2.2]octane hydroacetate In neat (no solvent) at 25℃; for 0.416667h; Green chemistry;	96%

...Expand

: 593-56-6
N-methoxylamine hydrochloride

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 646051-34-5
3-bromo-4-fluorobenzaldehyde O-methyloxime

Conditions

Conditions	Yield
	95%

: 7758-19-2
sodium chlorite

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 656-64-4
3-bromo-4-fluoroaniline

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sulfuric acid In tetrahydrofuran; chloroform; water; ethyl acetate	95%

: 1677-46-9
4-hydroxy-1-methyl-2(1H)-quinolone

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 109-77-3
malononitrile

: 1019060-10-6
2-amino-4-(3-bromo-4-fluorophenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile

Conditions

Conditions	Yield
With triethylamine In ethanol for 0.833333h; Heating;	95%

...Expand

: 367-27-1
2,4-difluorophenol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 3-bromo-4-(2,4-difluorophenoxy)benzaldehyde

Conditions

Conditions	Yield
With caesium carbonate In dimethyl sulfoxide at 100℃; for 1h; Temperature;	95%
With caesium carbonate In dimethyl sulfoxide at 100℃; for 1h;	95%
With caesium carbonate In dimethyl sulfoxide at 100℃; for 1h; Inert atmosphere;	95%

: 576-26-1
2.6-dimethylphenol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 3-bromo-4-(2,6-dimethylphenoxy)benzaldehyde

Conditions

Conditions	Yield
With caesium carbonate In dimethyl sulfoxide at 20℃;	95%
With caesium carbonate In dimethyl sulfoxide at 90℃; Inert atmosphere;	7 g

: (E)-3,3-diisopropyl-1-(phenylethynyl)triaz-1-ene

: 104-94-9
4-methoxy-aniline

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 65-85-0
benzoic acid

: (E)-N-(1-(3-bromo-4-fluorophenyl)-3-(3,3-diisopropyltriaz-1-en-1-yl)-3-oxo-2-phenylpropyl)-N-(4-methoxyphenyl)benzamide

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 80℃; Molecular sieve; Schlenk technique; diastereoselective reaction;	95%

...Expand

: 877315-80-5
3-o-chlorobenzyl-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-one

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 1470364-72-7
5-(o-chlorobenzyl)-4-m-bromo-4-fluorobenzyliden amino-2,4-dihydro-2H-1,2,4-triazol-3-one

Conditions

Conditions	Yield
With acetic acid at 115℃; for 0.0666667h; Time; Microwave irradiation;	94%

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 109-77-3
malononitrile

: 122-52-1
triethyl phosphite

: 1537917-45-5
[1-(3-bromo-4-fluorophenyl)-2,2-dicyanoethyl]phosphonic acid diethyl ester

Conditions

Conditions	Yield
With HCNC-4 In neat (no solvent) at 20℃; for 0.416667h; UV-irradiation; Green chemistry;	94%

...Expand

: 71643-66-8
4-chloro-2-iodo phenol

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 3-bromo-4-(4-chloro-2-iodophenoxy)benzaldehyde

Conditions

Conditions	Yield
With caesium carbonate In dimethyl sulfoxide at 90℃;	94%
With caesium carbonate In dimethyl sulfoxide at 90℃; for 18h; Inert atmosphere;	94%

: 87-41-2
2-benzofuran-1(3H)-one

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 63964-50-1
2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylmethylene)-1-bromobenzene

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 2.5h; Inert atmosphere;	94%
With sodium hydride In tetrahydrofuran at 20℃; for 2.5h; Solvent; Inert atmosphere;	92%

: 504-02-9
1,3-cylohexanedione

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 3-aminohex-2-enoic acid methyl ester

: 927669-87-2
4-(3-bromo-4-fluoro-phenyl)-5-oxo-2-propyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
In ethanol at 80℃; for 16h;	93%

...Expand

: 77771-02-9
3-bromo-4-fluorobenzaldehyde

: 77771-03-0
3-bromo-4-fluoro-benzyl alcohol

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate at 20℃;	93%
With sodium tetrahydroborate In ethanol for 2h;
With sodium tetrahydroborate In ethanol for 2h;

3-Bromo-4-fluorobenzaldehyde Specification

The 3-Bromo-4-Fluoro benzaldehyde, with its CAS registry number 77771-02-9, is a kind of white to light yellow low melting solid. For being sensitive to air, its product categories are including Fluorin-contained benzaldehyde series; Fluorobenzene; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Miscellaneous; Adehydes, Acetals & Ketones; Bromine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds; Benzaldehyde series.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.76; (6)ACD/BCF (pH 7.4): 32.76; (7)ACD/KOC (pH 5.5): 422.92; (8)ACD/KOC (pH 7.4): 422.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 40.68 cm³; (15)Molar Volume: 121.4 cm³; (16)Polarizability: 16.13×10^-24 cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.67 g/cm³; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 55.29 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000546 mmHg at 25°C; (23)Exact Mass: 201.942956; (24)MonoIsotopic Mass: 201.942956; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 10; (27)Complexity: 129.

Use of this chemical: 3-Bromo-4-Fluoro benzaldehyde could react with hexa-Si-methyl-Si,Si'-ethane-1,2-diyldioxy-bis-silane to produce 2-(3-bromo-4-fluoro-phenyl)-[1,3]dioxolane. This reaction could happen in the presence of the reagent of CF₃SO₃Si(CH₃)_3,solvent of CH₂Cl_2.And it needs the reaction time of 1 hour(s) and the reaction temp. of -78 ℃.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health, and it will be harmful if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C=O)Br)F
(2)InChI: InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
(3)InChIKey: FAHZIKXYYRGSHF-UHFFFAOYSA-N

Product Name

3-Bromo-4-fluorobenzaldehyde

Synthetic route

3-Bromo-4-fluorobenzaldehyde Specification

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