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96558-78-0

Basic Information
CAS No.: 96558-78-0
Name: 3-BROMO-5-CHLOROPHENYLAMINE
Article Data: 4
Molecular Structure:
Molecular Structure of 96558-78-0 (3-BROMO-5-CHLOROPHENYLAMINE)
Formula: C6H5BrClN
Molecular Weight: 206.469
Synonyms: 3-BROMO-5-CHLOROPHENYLAMINE;3-Bromo-5-chloroaniline;3-BROMO-5-CHLOROPHENYLAMINE, 95+%;3-BROMO-5-CHLOROPHEN;3-broMo-5-chlorobenzenaMine;BenzenaMine,3-broMo-5-chloro-
Density: 1.722 g/cm3
Boiling Point: 284.132 °C at 760 mmHg
Flash Point: 125.639 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 26.02000
LogP: 3.26590
Synthetic route

1-bromo-3-chloro-5-nitrobenzene

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
With acetic acid; zinc for 4h;99%
With sodium sulfide; zinc at 35 - 45℃; for 0.333333h; Temperature;90%
96558-70-2

2,3-dibromo-5-chloroaniline

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
With hydrogenchloride; 2H(1+)*2H3N*Cl3Cu(2-) In acetic acid at 90℃; Rate constant; other solvent, other temp., other Cu(I) complex;
5-chloro-3-bromo-1-nitrobenzene

5-chloro-3-bromo-1-nitrobenzene

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
With hydrogenchloride; tin
98-11-3

benzenesulfonic acid

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: nitric acid; manganese(IV) oxide / 0.75 h / 35 °C / 15001.5 Torr
2: N-Bromosuccinimide / 30 °C
3: hydrogenchloride / water / 1 h / 95 °C / 18751.9 Torr
4: acetic acid / 0.75 h / 20 - 25 °C / 15001.5 - 18751.9 Torr
5: zinc; sodium sulfide / 0.33 h / 35 - 45 °C
View Scheme
138-42-1

p-nitrobenzenesulfonic acid

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: N-Bromosuccinimide / 30 °C
2: hydrogenchloride / water / 1 h / 95 °C / 18751.9 Torr
3: acetic acid / 0.75 h / 20 - 25 °C / 15001.5 - 18751.9 Torr
4: zinc; sodium sulfide / 0.33 h / 35 - 45 °C
View Scheme

2-bromo-p-nitrobenzenesulfonic acid

96558-78-0

3-bromo-5-chlorophenylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water / 1 h / 95 °C / 18751.9 Torr
2: acetic acid / 0.75 h / 20 - 25 °C / 15001.5 - 18751.9 Torr
3: zinc; sodium sulfide / 0.33 h / 35 - 45 °C
View Scheme
1065010-87-8

potassium cyclopropyltrifluoroborate

96558-78-0

3-bromo-5-chlorophenylamine

3-chloro-5-cyclopropylaniline

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium tert-butylate In water; toluene at 90℃; for 16h; Inert atmosphere;92.4%
96558-78-0

3-bromo-5-chlorophenylamine

2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzoic acid

C16H12BrCl2FN2O3S

Conditions
ConditionsYield
With triethylamine; HATU In N,N-dimethyl-formamide at 0 - 20℃; for 12h;88.3%
5600-21-5

2-amino-6-methyl-4-chloropyrimidine

96558-78-0

3-bromo-5-chlorophenylamine

N4-(3-bromo-5-chlorophenyl)-6-methylpyrimidine-2,4-diamine

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 140℃; for 1.5h; Microwave irradiation; Sealed tube;87%
96558-78-0

3-bromo-5-chlorophenylamine

126726-62-3

2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

3-chloro-5-(prop-1-en-2-yl)aniline

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 130℃; for 3h;82%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 100℃; for 12h; Inert atmosphere;51.1%
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    96558-78-0

    3-Bromo-5-chloroaniline

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Specification

The IUPAC name of 3-Bromo-5-chloroaniline is 3-bromo-5-chloroaniline . The CAS registry number is 96558-78-0. It is also named as Benzenamine, 3-bromo-5-chloro- ; 3-Bromo-5-chlorophenylamine . It is pharmaceutical intermediates and can be used in pharmaceutical synthesis. People can use the following data to convert to the molecule structure. SMILES: c1c(cc(cc1Cl)Br)N; InChI: InChI=1/C6H5BrClN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2; InChIKey:YYBRLVWWPRAQDX-UHFFFAOYAR; Std. InChI:
InChI=1S/C6H5BrClN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2; Std. InChIKey: YYBRLVWWPRAQDX-UHFFFAOYSA-N.