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1003-99-2

Basic Information
CAS No.: 1003-99-2
Name: 2-Bromo-5-fluoroaniline
Article Data: 18
Molecular Structure:
Molecular Structure of 1003-99-2 (2-Bromo-5-fluoroaniline)
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: IrritantXi,ToxicT
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: UN 2811
PSA: 26.02000
LogP: 2.75160
Synthetic route
446-09-3

2-bromo-5-fluoronitrobenzene

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
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%
909274-50-6

2-azido-1-bromo-5-fluorobenzene

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
With iron(III) oxide; hydrazine hydrate In water at 120℃; for 2.5h; Inert atmosphere;81%
364-78-3

2-nitro-4-fluoroaniline

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
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
372-19-0

meta-fluoroaniline

A

1003-99-2

2-bromo-5-fluoroaniline

B

656-65-5

3-fluoro-4-bromophenylamine

Conditions
ConditionsYield
With N-Bromosuccinimide In DCE at 20℃;A 11 %Chromat.
B 89 %Chromat.
460-00-4

1-Bromo-4-fluorobenzene

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
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
372-19-0

meta-fluoroaniline

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
With hydrogen bromide; dimethyl sulfoxide In ethyl acetate at 60℃; for 12h;
371-40-4

4-fluoroaniline

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
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
351-83-7

4'-fluoroacetanilide

1003-99-2

2-bromo-5-fluoroaniline

Conditions
ConditionsYield
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
696-59-3

cis,trans-2,5-dimethoxytetrahydrofuran

1003-99-2

2-bromo-5-fluoroaniline

1254221-18-5

1-(2-bromo-5-fluorophenyl)-1H-pyrrole

Conditions
ConditionsYield
With water; acetic acid In 1,2-dichloro-ethane at 80℃; Paal-Knorr pyrrole synthesis; Inert atmosphere;100%
With acetic acid for 1h; Reflux;
1003-99-2

2-bromo-5-fluoroaniline

3282-30-2

pivaloyl chloride

885609-84-7

N-(2-bromo-5-fluorophenyl)pivalamide

Conditions
ConditionsYield
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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147460-43-3
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  • 1003-99-2  CAS NO.1003-99-2

  • Casno:

    1003-99-2

    1003-99-2 CAS NO.1003-99-2

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  • 2-Bromo-5-fluoroaniline

  • Casno:

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    2-Bromo-5-fluoroaniline

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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi, ToxicT
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

Specification

 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.