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| Name |
2-Bromo-4-fluorotoluene |
EINECS | 215-830-0 |
| CAS No. | 1422-53-3 | Density | 1.498 g/cm3 |
| PSA | 0.00000 | LogP | 2.89660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H6BrF | Boiling Point | 171 °C at 760 mmHg |
| Molecular Weight | 189.027 | Flash Point | 64.4 °C |
| Transport Information | UN 2810 | Appearance | colorless or yellowish liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-bromo-4-fluoro-1-methyl-benzene;2-Bromo-4-fluoro toluene; |
2-Bromo-4-fluorotoluene Synthetic route
| Conditions | Yield |
|---|---|
| (i) NaNO2, aq. HCl, aq. HBF4, (ii) (pyrolysis); Multistep reaction; |
- 1422-53-3
2-bromo-4-fluorotoluene
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-4-fluorotoluene With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 2h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 0.5h; Reagent/catalyst; Temperature; | 92% |
| Stage #1: 2-bromo-4-fluorotoluene With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 1h; | 91.3% |
| Stage #1: 2-bromo-4-fluorotoluene With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 2.16667h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78℃; for 0.333333h; | 84% |
- 1422-53-3
2-bromo-4-fluorotoluene
- 87-59-2
2,3-Dimethylaniline
- 917241-99-7
5-fluoro-2,2',3'-trimethyl-diphenylamine
| Conditions | Yield |
|---|---|
| With sodium t-butanolate; palladium diacetate; 2'-dicyclohexylphosphanyl-6-hydroxy-biphenyl-3-sulfonic acid In diethylene glycol dimethyl ether at 120℃; for 15h; Product distribution / selectivity; | 90% |
- 1422-53-3
2-bromo-4-fluorotoluene
- 137076-22-3
tert butyl 4-formylpiperidine-1-carboxylate
| Conditions | Yield |
|---|---|
| With Quinuclidine; [nickel(II) (4,4'-di-tert-butyl-2,2'-bipyridine)(bromide)2]; [Ir(C6H2F2-C5H3NCF3)2(4,4′-di-tert-butyl-2,2′-dipyridyl)]; potassium carbonate In 1,4-dioxane at 20℃; for 20h; Inert atmosphere; Sealed tube; Irradiation; | 90% |
| Conditions | Yield |
|---|---|
| With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; Inert atmosphere; Schlenk technique; | 90% |
| Conditions | Yield |
|---|---|
| With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; Inert atmosphere; Schlenk technique; | 90% |
- 1422-53-3
2-bromo-4-fluorotoluene
- 78056-60-7
(1-acetylpiperidin-4-yl)acetic acid
| Conditions | Yield |
|---|---|
| Stage #1: (1-acetylpiperidin-4-yl)acetic acid With thionyl chloride at 20℃; Stage #2: 2-bromo-4-fluorotoluene With aluminum (III) chloride at 80℃; for 2h; | 88% |
- 1422-53-3
2-bromo-4-fluorotoluene
- 61150-57-0
2-bromo-4-fluorobenzyl bromide
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 70℃; for 18h; | 87% |
| With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 21h; Heating / reflux; | 87% |
| With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 2h; Heating / reflux; | 76% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane at 80 - 120℃; for 0.666667h; Microwave irradiation; | 86% |
| With potassium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane at 80 - 120℃; for 0.666667h; Microwave; | 86% |
- 1422-53-3
2-bromo-4-fluorotoluene
- 124-38-9
carbon dioxide
- 1359857-60-5
2-bromo-6-fluoro-3-methylbenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-4-fluorotoluene With n-butyllithium; diisopropylamine In tetrahydrofuran Cooling with ice; Stage #2: carbon dioxide In tetrahydrofuran for 0.333333h; Cooling with ice; | 85% |
2-Bromo-4-fluorotoluene Chemical Properties
IUPAC Name: 2-bromo-4-fluoro-1-methylbenzene
Empirical Formula: C7H6BrF
Molecular Weight: 189.0249g/mol
EINECS: 215-830-0
Structure of 2-Bromo-4-fluorotoluene (CAS NO.1422-53-3):
Index of Refraction: 1.526
Molar Refractivity: 38.76 cm3
Molar Volume: 126.1 cm3
Polarizability: 15.36×10-24cm3
Surface Tension: 33.1 dyne/cm
Density: 1.498 g/cm3
Flash Point: 64.4 °C
Enthalpy of Vaporization: 39.07 kJ/mol
Boiling Point: 171 °C at 760 mmHg
Vapour Pressure: 1.9 mmHg at 25°C
Product Categories: Fluorin-contained toluene series;Aromatic Halides (substituted);Halogen toluene;Miscellaneous;Bromine Compounds;Fluorine Compounds;Aryl;C7;Halogenated Hydrocarbons
Canonical SMILES: CC1=C(C=C(C=C1)F)Br
InChI: InChI=1S/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey: SFGFOJPGCOYQJK-UHFFFAOYSA-N
2-Bromo-4-fluorotoluene Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2810
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
2-Bromo-4-fluorotoluene Specification
2-Bromo-4-fluorotoluene , its cas register number is 1422-53-3. It also can be called 2-bromo-4-fluoro-1-methyl- ; 2-Bromo-4-fluorotoluene 99% ; 2-Bromo-4-fluorotoluene99% . 2-Bromo-4-fluorotoluene (CAS NO.1422-53-3) is a colorless to light yellow liquid.
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