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Name |
2-Bromo-6-fluoroaniline |
EINECS | 464-930-2 |
CAS No. | 65896-11-9 | Density | 1.694 g/cm3 |
PSA | 26.02000 | LogP | 2.75160 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BrFN | Boiling Point | 211 °C at 760 mmHg |
Molecular Weight | 190.015 | Flash Point | 81.4 °C |
Transport Information | UN2810 | Appearance | Clear yellow to brown liquid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi,T | |
Synonyms |
2-Bromo-6-fluorobenzenamine; |
Article Data | 5 |
2-bromo-6-fluorobenzoic acid
2-bromo-6-fluoroaniline
Conditions | Yield |
---|---|
Stage #1: 2-bromo-6-fluorobenzoic acid With sulfuric acid at 60℃; for 1.5h; Stage #2: With sodium azide at 20℃; for 42h; Schmidt rearrangement; Stage #3: With ammonium hydroxide at 0℃; | 86% |
2-Fluoroaniline
A
4-bromo-2-fluoroaniline
B
2,4-dibromo-6-fluorophenylamine
C
2-bromo-6-fluoroaniline
Conditions | Yield |
---|---|
Stage #1: 2-Fluoroaniline With n-butyllithium In diethyl ether; hexane at -78℃; for 1h; Stage #2: With poly[4-(dibutyliodostannyl)butyl]styrene In diethyl ether; hexane at 20℃; for 18h; Stage #3: With bromine In diethyl ether; hexane; dichloromethane at -78 - 20℃; for 2h; | A 70% B n/a C n/a |
Conditions | Yield |
---|---|
With sodium perborate; ammonium heptamolybdate; potassium bromide In acetic acid at 20℃; for 1h; Bromination; |
2-Fluoroaniline
2-bromo-6-fluoroaniline
Conditions | Yield |
---|---|
With hydrogen bromide; dimethyl sulfoxide In ethyl acetate at 60℃; for 12h; |
Conditions | Yield |
---|---|
In dichloromethane Inert atmosphere; Reflux; | 100% |
2-Methoxyphenylboronic acid
2-bromo-6-fluoroaniline
3-fluoro-2'-methoxy-[1,1'-biphenyl]-2-amine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; water; toluene at 80℃; for 108h; Inert atmosphere; | 98% |
With palladium diacetate; 2-dicyclohexylphosphino-2',6'-dimethylbiphenyl In toluene at 100℃; for 3h; | 62% |
Conditions | Yield |
---|---|
With N-Methyldicyclohexylamine; chloro[(tri-tert-butylphosphine)-2-(2-aminobiphenyl)] palladium(II) In Isopropyl acetate at 80℃; for 5h; Inert atmosphere; | 97% |
2-bromo-6-fluoroaniline
2‑bromo‑6‑fluoronitrobenzene
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 70℃; for 2h; | 88% |
Stage #1: 2-bromo-6-fluoroaniline With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 0.5h; Reflux; Stage #2: With dihydrogen peroxide; nitric acid; acetic acid at 20 - 90℃; for 0.5h; | |
Stage #1: 2-bromo-6-fluoroaniline With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 0.5h; Reflux; Stage #2: With dihydrogen peroxide; nitric acid In acetic acid at 20 - 90℃; for 0.5h; |
2-methoxy-5-trifluoromethylphenyl isocyanate
2-bromo-6-fluoroaniline
3-(2-bromo-6-fluorophenyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]urea
Conditions | Yield |
---|---|
In acetonitrile at 35 - 88℃; for 38 - 45h; Product distribution / selectivity; | 87.5% |
Conditions | Yield |
---|---|
Stage #1: Glutaraldehyde; 2-bromo-6-fluoroaniline With sodium tris(acetoxy)borohydride In tetrahydrofuran at 0℃; for 1h; Stage #2: With sodium triacetoxy borohydride In tetrahydrofuran at 0 - 20℃; for 3h; | 85% |
The 2-Bromo-6-fluoroaniline, with the CAS registry number 65896-11-9, is also known as 2-Bromo-6-fluorobenzenamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amines; C2 to C6; Nitrogen Compounds; Aromatics. This chemical's molecular formula is C6H5BrFN and molecular weight is 190.01. What's more, its IUPAC name is the same with its product name. It should be kept in a cold and dry place.
Physical properties about 2-Bromo-6-fluoroaniline are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.49; (6)ACD/BCF (pH 7.4): 48.49; (7)ACD/KOC (pH 5.5): 560.03; (8)ACD/KOC (pH 7.4): 560.05; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 38.17 cm3; (15)Molar Volume: 112.1 cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Density: 1.694 g/cm3; (18)Flash Point: 81.4 °C; (19)Enthalpy of Vaporization: 44.73 kJ/mol; (20)Boiling Point: 211 °C at 760 mmHg; (21)Vapour Pressure: 0.187 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. What's more, 2-Bromo-6-fluoroaniline at low levels cause damage to health. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(Br)c1N
(2) InChI: InChI=1S/C6H5BrFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
(3) InChIKey: ALZFPYUPNVLVQM-UHFFFAOYSA-N