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CAS No.: | 1003-99-2 |
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Name: | 2-Bromo-5-fluoroaniline |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H5BrFN |
Molecular Weight: | 190.015 |
Synonyms: | 2-Bromo-5-fluoro-phenylamine;2-bromo-5-fluoro-aniline;2-Bromo-fluoroaniline;2-bromo-5-fluorobenzenamine;2-fluoro-5-bromoaniline; |
Density: | 1.694 g/cm3 |
Melting Point: | 43-47 °C(lit.) |
Boiling Point: | 228.2 °C at 760 mmHg |
Flash Point: | 91.8 °C |
Appearance: | yellow to brown crystalline powder |
Hazard Symbols: | Xi,T |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 2811 |
PSA: | 26.02000 |
LogP: | 2.75160 |
Conditions | Yield |
---|---|
Stage #1: 2-bromo-5-fluoronitrobenzene With iron; acetic acid In ethanol at 20℃; for 2.08333h; Heating / reflux; Stage #2: With sodium hydroxide In diethyl ether; water | 100% |
With tin(ll) chloride In ethanol at 50℃; for 2h; Reagent/catalyst; Temperature; | 100% |
With iron; acetic acid In ethanol; water at 80 - 85℃; for 6h; | 98.9% |
2-azido-1-bromo-5-fluorobenzene
2-bromo-5-fluoroaniline
Conditions | Yield |
---|---|
With iron(III) oxide; hydrazine hydrate In water at 120℃; for 2.5h; Inert atmosphere; | 81% |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: HCl; aq. NaNO2 / 0 °C 1.2: CuBr; HCl / 0 - 60 °C 2.1: H2 / Raney Ni View Scheme |
Conditions | Yield |
---|---|
With N-Bromosuccinimide In DCE at 20℃; | A 11 %Chromat. B 89 %Chromat. |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / water / 0.25 h / 0 °C 2: ammonium chloride; zinc / water / 0.5 h / 80 °C View Scheme |
Conditions | Yield |
---|---|
With hydrogen bromide; dimethyl sulfoxide In ethyl acetate at 60℃; for 12h; |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: toluene / 2 h / 5 - 25 °C / Large scale 2.1: sulfuric acid / dichloromethane / 1 h / 0 - 5 °C 2.2: 1 h / 5 - 10 °C 3.1: sulfuric acid / water / 14 h / 75 - 80 °C 3.2: 1 h / 0 - 5 °C 3.3: 2 h / 40 - 50 °C 4.1: iron; acetic acid / water; ethanol / 6 h / 80 - 85 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / dichloromethane / 1 h / 0 - 5 °C 1.2: 1 h / 5 - 10 °C 2.1: sulfuric acid / water / 14 h / 75 - 80 °C 2.2: 1 h / 0 - 5 °C 2.3: 2 h / 40 - 50 °C 3.1: iron; acetic acid / water; ethanol / 6 h / 80 - 85 °C View Scheme |
cis,trans-2,5-dimethoxytetrahydrofuran
2-bromo-5-fluoroaniline
1-(2-bromo-5-fluorophenyl)-1H-pyrrole
Conditions | Yield |
---|---|
With water; acetic acid In 1,2-dichloro-ethane at 80℃; Paal-Knorr pyrrole synthesis; Inert atmosphere; | 100% |
With acetic acid for 1h; Reflux; |
2-bromo-5-fluoroaniline
pivaloyl chloride
N-(2-bromo-5-fluorophenyl)pivalamide
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; | 98% |
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; | 98% |
With triethylamine In dichloromethane at 0 - 20℃; for 3h; | 92% |
With triethylamine In dichloromethane at 0 - 30℃; | |
With triethylamine In dichloromethane at 0 - 20℃; |
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The molecular structure of 2-Bromo-5-fluoroaniline (CAS NO.1003-99-2):
IUPAC Name: 2-Bromo-5-fluoroaniline
Molecular Weight: 190.013003 g/mol
Molecular Formula: C6H5BrFN
Density: 1.694 g/cm3
Melting Point: 43-47 °C(lit.)
Boiling Point: 228.2 °C at 760 mmHg
Flash Point: 91.8 °C
Index of Refraction: 1.596
Molar Refractivity: 38.17 cm3
Molar Volume: 112.1 cm3
Surface Tension: 45.2 dyne/cm
Enthalpy of Vaporization: 46.48 kJ/mol
Vapour Pressure: 0.0743 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 2
Exact Mass: 188.95894
MonoIsotopic Mass: 188.95894
Topological Polar Surface Area: 26
Heavy Atom Count: 9
Canonical SMILES: C1=CC(=C(C=C1F)N)Br
InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey: FWTXFEKVHSFTDQ-UHFFFAOYSA-N
Product Categories: Aniline; Anilines, Amides & Amines; Bromine Compounds; Fluorine Compounds; Pharmaceutical intermediate; Amines; C2 to C6; Nitrogen Compounds
Hazard Codes: Xi, T
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN2811
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III
2-Bromo-5-fluoroaniline (CAS NO.1003-99-2) is also named as 2-Brom-5-fluoranilin ; benzenamine, 2-bromo-5-fluoro- ; 2-Bromo-4-fluoroaniline ; 2-Bromo-5-fluoroaniline 98% . 2-Bromo-5-fluoroaniline (CAS NO.1003-99-2) is yellow to brown crystalline powder.