Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-4-fluorobenzotrifluoride |
EINECS | N/A |
CAS No. | 68322-84-9 | Density | 1.706 g/cm3 |
PSA | 0.00000 | LogP | 3.60700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrF4 | Boiling Point | 152.7 °C at 760 mmHg |
Molecular Weight | 242.998 | Flash Point | 59 °C |
Transport Information | UN 1760 | Appearance | clear colorless liquid |
Safety | 45-36/37/39-26 | Risk Codes | 34-36/37/38-20/21/22 |
Molecular Structure | Hazard Symbols | Xn,C,Xi | |
Synonyms |
2-Bromo-1-fluoro-4-trifluoromethylbenzene;2-Bromo-4-trifluoromethyl-1-fluorobenzene;2-Fluoro-5-(trifluoromethyl)bromobenzene;2-Fluoro-5-trifluoromethyl-1-bromobenzene; |
Article Data | 2 |
4-Fluorobenzotrifluoride
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With ferric(III) bromide; sulfuric acid; tetrabutylammomium bromide; bromine; lithium bromide at 35 - 45℃; for 6h; | 95.94% |
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
bis(pinacol)diborane
Conditions | Yield |
---|---|
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; cyclopentyl methyl ether; 1,1'-di(pyridin-2-yl)-1,1',3,3'-tetrahydro-2,2'-bibenzo[d][1,3,2]diazaborole at 100℃; for 16h; Schlenk technique; Inert atmosphere; | 100% |
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1-(4,4'-di-tert-butyl-[2,2'-bipyridin]-6-yl)-2-(dimethyl(phenyl)silyl)-2,3-dihydro-1H-benzo[d][1,3,2]diazaborole Inert atmosphere; Schlenk technique; Sealed tube; | 98% |
With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 24h; Inert atmosphere; |
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
2,4-dimethylbenzeneboronic acid
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,2-dimethoxyethane; water at 80℃; for 8h; Suzuki-Miyaura Coupling; Inert atmosphere; | 99% |
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
4-tert-butylphenylboronic acid
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,2-dimethoxyethane; water at 80℃; for 12h; Suzuki-Miyaura Coupling; Inert atmosphere; | 98% |
2-Iodophenol
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
2-bromo-1-(2-iodophenoxy)-4-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 95℃; for 20h; Inert atmosphere; | 95% |
With potassium carbonate In dimethyl sulfoxide at 95℃; for 48h; Sealed tube; | 91% |
isovanillin
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
3-(2-bromo-4-trifluoromethyl-phenoxy)-4-methoxy-benzaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20 - 140℃; for 5.25h; Inert atmosphere; | 94% |
3-[4-(3-hydroxy-4-methyl-phenoxy)-2-methyl-phenyl]propionic acid ethyl ester
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 100℃; for 6h; Heating; | 88% |
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
4-tert-butyl-dimethylsilyloxyphenylboronic acid anhydride
Conditions | Yield |
---|---|
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 95℃; Suzuki reaction; | 87% |
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
2-bromo-4-(trifluoromethyl)phenol
Conditions | Yield |
---|---|
With acetylhydroxamic acid; potassium carbonate In dimethyl sulfoxide at 80℃; for 18h; Sealed tube; | 86% |
3-[4-(5-hydroxy-2-methyl-phenoxy)-2-methyl-phenyl]propionic acid ethyl ester
2-bromo-1-fluoro-4-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 100℃; for 6h; Heating; | 81% |
The 4-Fluoro-3-bromobenzotrifluoride, with the CAS registry number 68322-84-9, is also known as 2-Fluoro-5-(trifluoromethyl)bromobenzene. It belongs to the product categories of Trifluoromethylbenzene Serise; Fluorobenzene; Miscellaneous; Benzotrifluoride Series; Aryl; C7; Halogenated Hydrocarbons. This chemical's molecular formula is C7H3BrF4 and molecular weight is 242.996333. Its IUPAC name is called 2-bromo-1-fluoro-4-(trifluoromethyl)benzene. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides. It is a intermediate used in the fields of medicine and pesticide.
Physical properties of 4-Fluoro-3-bromobenzotrifluoride: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 200.64; (5)ACD/BCF (pH 7.4): 200.64; (6)ACD/KOC (pH 5.5): 1547.68; (7)ACD/KOC (pH 7.4): 1547.68; (8)Index of Refraction: 1.455; (9)Molar Refractivity: 38.91 cm3; (10)Molar Volume: 143.3 cm3; (11)Surface Tension: 25.4 dyne/cm; (12)Density: 1.695 g/cm3; (13)Flash Point: 59 °C; (14)Enthalpy of Vaporization: 37.35 kJ/mol; (15)Boiling Point: 152.7 °C at 760 mmHg; (16)Vapour Pressure: 4.42 mmHg at 25°C.
Uses of 4-Fluoro-3-bromobenzotrifluoride: it can be used to produce [2-(2-bromo-4-trifluoromethyl-phenoxy)-ethyl]-trimethyl-silane at temperature of 20 °C. This reaction will need reagent KHMDS and solvents tetrahydrofuran, toluene with reaction time of 1 hour. The yield is about 59%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Meanwhile, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)F
(2)InChI: InChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
(3)InChIKey: RZJOIMPUMMQKFR-UHFFFAOYSA-N