2-Bromo-5-fluoroaniline supplier

Name
2-Bromo-5-fluoroaniline
EINECS
CAS No. 1003-99-2
Article Data18
CAS DataBase
Density 1.694 g/cm³
Solubility
Melting Point 43-47 °C(lit.)
Formula C₆H₅BrFN
Boiling Point 228.2 °C at 760 mmHg
Molecular Weight 190.015
Flash Point 91.8 °C
Transport Information UN 2811
Appearance yellow to brown crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi,T
Synonyms 2-Bromo-5-fluoro-phenylamine;2-bromo-5-fluoro-aniline;2-Bromo-fluoroaniline;2-bromo-5-fluorobenzenamine;2-fluoro-5-bromoaniline;
PSA 26.02000
LogP 2.75160

Synthetic route

: 446-09-3
2-bromo-5-fluoronitrobenzene

: 1003-99-2
2-bromo-5-fluoroaniline

Conditions

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%

: 909274-50-6
2-azido-1-bromo-5-fluorobenzene

: 1003-99-2
2-bromo-5-fluoroaniline

Conditions

Conditions	Yield
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

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

: 372-19-0
meta-fluoroaniline

A: 1003-99-2
2-bromo-5-fluoroaniline

B: 656-65-5
3-fluoro-4-bromophenylamine

Conditions

Conditions	Yield
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

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

: 372-19-0
meta-fluoroaniline

: 1003-99-2
2-bromo-5-fluoroaniline

Conditions

Conditions	Yield
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

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

: 351-83-7
4'-fluoroacetanilide

: 1003-99-2
2-bromo-5-fluoroaniline

Conditions

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

: 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

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;

: 1003-99-2
2-bromo-5-fluoroaniline

: 3282-30-2
pivaloyl chloride

: 885609-84-7
N-(2-bromo-5-fluorophenyl)pivalamide

Conditions

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℃;

: 2113-51-1
2-iodobiphenyl

: 1003-99-2
2-bromo-5-fluoroaniline

: 7-fluoro-9H-tribenzo[b,d,f]azepine

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; tris-(o-tolyl)phosphine In N,N-dimethyl-formamide at 120℃; for 36h; Schlenk technique; Inert atmosphere;	98%

: 1003-99-2
2-bromo-5-fluoroaniline

: 1765-93-1
4-fluoroboronic acid

: 2367-21-7
4,4'-difluoro-[1,1'-biphenyl]-2-amine

Conditions

Conditions	Yield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; toluene at 96℃; for 24h; Inert atmosphere;	97%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 100℃; for 24h;

: 1003-99-2
2-bromo-5-fluoroaniline

: 98-88-4
benzoyl chloride

: 1629-17-0
N-(2-bromo-5-fluorophenyl)benzamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h;	96%
With triethylamine In dichloromethane at 20℃; for 3h;

: 1003-99-2
2-bromo-5-fluoroaniline

: 909274-50-6
2-azido-1-bromo-5-fluorobenzene

Conditions

Conditions	Yield
Stage #1: 2-bromo-5-fluoroaniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 1.5h; Stage #2: With sodium azide; sodium acetate In water at 0 - 5℃; for 1h;	96%
Stage #1: 2-bromo-5-fluoroaniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 1.5h; Stage #2: With sodium azide; sodium acetate In water at 0 - 5℃; for 1h;	96%
Stage #1: 2-bromo-5-fluoroaniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 1.5h; Stage #2: With sodium azide; sodium acetate In water at 0 - 5℃; for 1h;	96%
With tert.-butylnitrite; trimethylsilylazide In acetonitrile at 0 - 20℃; for 0.5h; Inert atmosphere;	53%

: 1003-99-2
2-bromo-5-fluoroaniline

: 108-24-7
acetic anhydride

: 1009-06-9
N-(2-bromo-5-fluoro-phenyl)acetamide

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere; Reflux;	96%
at 10 - 20℃; for 3h;	90%

: 1003-99-2
2-bromo-5-fluoroaniline

: 501-53-1
benzyl chloroformate

: 1643796-25-1
2-bromo-5-fluorobenzyloxycarbonylaniline

Conditions

Conditions	Yield
With sodium hydrogencarbonate In 1,2-dichloro-ethane at 0 - 10℃; for 1h;	95.6%
With pyridine In ethyl acetate at 20℃; for 2h;	85%

: 1003-99-2
2-bromo-5-fluoroaniline

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 655236-27-4
diethyl {[(2-bromo-5-fluorophenyl)amino]methylene}malonate

Conditions

Conditions	Yield
for 16h; Heating;	95%
at 120℃; for 2h; Neat (no solvent);	84%
at 100℃; for 2h;

: 123-73-9
trans-Crotonaldehyde

: 1003-99-2
2-bromo-5-fluoroaniline

: 904694-59-3
8-bromo-5-fluoro-2-methylquinoline

Conditions

Conditions	Yield
Stage #1: trans-Crotonaldehyde; 2-bromo-5-fluoroaniline With hydrogenchloride In water at 100℃; for 1h; Heating / reflux; Stage #2: With zinc(II) chloride In water at 0℃; for 0.5h; Stage #3: With ammonia In water pH=8.0;	95%
Stage #1: 2-bromo-5-fluoroaniline With hydrogenchloride In water; toluene for 0.5h; Reflux; Stage #2: trans-Crotonaldehyde In water; toluene for 18h; Reflux;	40%

: 1003-99-2
2-bromo-5-fluoroaniline

: 4‑ntro‑N’‑(1‑phenylethylidene)benzenesulfonohydrazide

: 5-fluoro-2-(1-phenylvinyl)aniline

Conditions

Conditions	Yield
With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; palladium diacetate; potassium carbonate In N,N-dimethyl acetamide at 110℃; Inert atmosphere;	95%

: 1003-99-2
2-bromo-5-fluoroaniline

: 1066-54-2
trimethylsilylacetylene

: 5-fluoro-2-((trimethylsilyl)ethynyl)aniline

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In toluene at 20℃; for 24h; Sonogashira Cross-Coupling; Inert atmosphere;	95%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; Inert atmosphere; Sealed tube;

: 24424-99-5
di-tert-butyl dicarbonate

: 1003-99-2
2-bromo-5-fluoroaniline

: 861931-75-1
tert-butyl N-(2-bromo-5-fluorophenyl)carbamate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 10℃; for 10h;	94.2%
Stage #1: di-tert-butyl dicarbonate; 2-bromo-5-fluoroaniline With dmap In tetrahydrofuran for 3h; Reflux; Inert atmosphere; Stage #2: With potassium carbonate In methanol for 3h; Reflux; Inert atmosphere;	76%
	75%

: 908292-39-7
1-(2,4-difluorophenyl)pentane-1,4-dione

: 1003-99-2
2-bromo-5-fluoroaniline

: 1445874-22-5
1-(2-bromo-5-fluorophenyl)-2-(2,4-difluorophenyl)-5-methyl-1H-pyrrole

Conditions

Conditions	Yield
With gadolinium(III) trifluoromethanesulfonate In acetonitrile at 30℃; for 0.5h; Paal-Knorr Pyrrole Synthesis;	94%

: 1003-99-2
2-bromo-5-fluoroaniline

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: N'-(2-bromo-5-fluorophenyl)-N,N-dimethylformimidamide

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With pyridine-2-sulfonyl chloride for 0.0833333h; Stage #2: 2-bromo-5-fluoroaniline at 20℃;	93.9%

: 1003-99-2
2-bromo-5-fluoroaniline

: 1074-82-4
potassium phtalimide

: 2-bromo-5-fluorophthalimidoaniline

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran at 0 - 40℃; for 6h;	93.8%

: 1003-99-2
2-bromo-5-fluoroaniline

: 98-59-9
p-toluenesulfonyl chloride

: N-(2-bromo-5-fluorophenyl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 10℃; for 0.5h;	93.5%
With pyridine In tetrahydrofuran at 40℃;
With pyridine for 24h;	8.78 g
Stage #1: 2-bromo-5-fluoroaniline With pyridine In ethyl acetate for 0.166667h; Stage #2: p-toluenesulfonyl chloride In ethyl acetate
Stage #1: 2-bromo-5-fluoroaniline With pyridine In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: p-toluenesulfonyl chloride at 20℃; Inert atmosphere;

: 1003-99-2
2-bromo-5-fluoroaniline

: 79-30-1
isobutyryl chloride

: 2-bromo-5-fluoroisobutyranilide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 10℃; for 0.5h;	93.5%

: 1003-99-2
2-bromo-5-fluoroaniline

: 75-36-5
acetyl chloride

: 1009-06-9
N-(2-bromo-5-fluoro-phenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 10℃; for 0.5h;	93.2%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	3 g

: 506-96-7
Acetyl bromide

: 1003-99-2
2-bromo-5-fluoroaniline

: 1009-06-9
N-(2-bromo-5-fluoro-phenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 10℃; for 0.5h;	92.9%

: 1003-99-2
2-bromo-5-fluoroaniline

: 35675-46-8
3-methyl-4-nitro-benzoyl chloride

: 343975-60-0
N-(2-bromo-5-fluorophenyl)-3-methyl-4-nitrobenzamide

Conditions

Conditions	Yield
With pyridine for 1h; Heating;	92%
With pyridine for 2h; Reflux;	84%

2-Bromo-5-fluoroaniline Chemical Properties

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

2-Bromo-5-fluoroaniline Safety Profile

Hazard Codes: Irritant Xi, Toxic 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 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.

Product Name

2-Bromo-5-fluoroaniline

Synthetic route

2-Bromo-5-fluoroaniline Chemical Properties

2-Bromo-5-fluoroaniline Safety Profile

2-Bromo-5-fluoroaniline Specification

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