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2-Bromo-6-fluoroaniline

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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 Molecular Structure of 65896-11-9 (2-BROMO-6-FLUOROANILINE) Hazard Symbols IrritantXi,ToxicT
Synonyms

2-Bromo-6-fluorobenzenamine;

Article Data 5

2-Bromo-6-fluoroaniline Synthetic route

2252-37-1

2-bromo-6-fluorobenzoic acid

65896-11-9

2-bromo-6-fluoroaniline

Conditions
ConditionsYield
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%
348-54-9

2-Fluoroaniline

A

367-24-8

4-bromo-2-fluoroaniline

B

141474-37-5

2,4-dibromo-6-fluorophenylamine

C

65896-11-9

2-bromo-6-fluoroaniline

Conditions
ConditionsYield
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
348-54-9

2-Fluoroaniline

A

367-24-8

4-bromo-2-fluoroaniline

B

65896-11-9

2-bromo-6-fluoroaniline

Conditions
ConditionsYield
With sodium perborate; ammonium heptamolybdate; potassium bromide In acetic acid at 20℃; for 1h; Bromination;
348-54-9

2-Fluoroaniline

65896-11-9

2-bromo-6-fluoroaniline

Conditions
ConditionsYield
With hydrogen bromide; dimethyl sulfoxide In ethyl acetate at 60℃; for 12h;
108-24-7

acetic anhydride

65896-11-9

2-bromo-6-fluoroaniline

N-(2-bromo-6-fluorophenyl)acetamide

Conditions
ConditionsYield
In dichloromethane Inert atmosphere; Reflux;100%
5720-06-9

2-Methoxyphenylboronic acid

65896-11-9

2-bromo-6-fluoroaniline

1338379-58-0

3-fluoro-2'-methoxy-[1,1'-biphenyl]-2-amine

Conditions
ConditionsYield
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%
292638-85-8

acrylic acid methyl ester

65896-11-9

2-bromo-6-fluoroaniline

C10H10FNO2

Conditions
ConditionsYield
With N-Methyldicyclohexylamine; chloro[(tri-tert-butylphosphine)-2-(2-aminobiphenyl)] palladium(II) In Isopropyl acetate at 80℃; for 5h; Inert atmosphere;97%
65896-11-9

2-bromo-6-fluoroaniline

886762-70-5

2‑bromo‑6‑fluoronitrobenzene

Conditions
ConditionsYield
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;
16588-75-3

2-methoxy-5-trifluoromethylphenyl isocyanate

65896-11-9

2-bromo-6-fluoroaniline

917389-23-2

3-(2-bromo-6-fluorophenyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]urea

Conditions
ConditionsYield
In acetonitrile at 35 - 88℃; for 38 - 45h; Product distribution / selectivity;87.5%
111-30-8

Glutaraldehyde

65896-11-9

2-bromo-6-fluoroaniline

C11H13BrFN

Conditions
ConditionsYield
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%

2-Bromo-6-fluoroaniline Specification

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

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