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| CAS No.: | 52488-36-5 |
|---|---|
| Name: | 4-Bromoindole |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6BrN |
| Molecular Weight: | 196.046 |
| Synonyms: | 4-bromo-1H-indole; |
| EINECS: | -0 |
| Density: | 1.66 g/cm3 |
| Melting Point: | 17 °C |
| Boiling Point: | 316.9 °C at 760 mmHg |
| Flash Point: | 145.5 °C |
| Solubility: | Not miscible in water. |
| Appearance: | Clear yellowish-green or dark brown liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 15.79000 |
| LogP: | 2.93040 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 90481-72-4
4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 12h; Heating; | 98% |
- 1180007-97-9
4-bromo-1-(trifluoromethylsulfonyl)indole
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water at 100℃; for 12h; | 96% |
- 86626-38-2
4-bromo-2,3-dihydro-1H-indole
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With sodium carbonate In ethyl acetate at 120℃; for 24h; Sealed tube; Green chemistry; | 95% |
| With TEMPOL; oxygen; copper(l) chloride at 50 - 60℃; for 4.5h; Inert atmosphere; | 95% |
| With oxygen; sodium t-butanolate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 4h; | 48% |
- 1196981-04-0
1-(4-bromo-1H-indol-1-yl)-2,2-dimethylpropan-1-one
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With water; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran for 3h; Reflux; | 94% |
- 101909-45-9
4-bromo-1-methoxycarbonylindole
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 1h; Heating; | 88.5% |
- 90481-68-8
1-bromo-2-ethenyl-3-nitrobenzene
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With carbon monoxide; triphenylphosphine; palladium diacetate In acetonitrile under 3040 Torr; for 15h; Heating; | 84% |
| With carbon monoxide; triphenylphosphine; palladium diacetate In acetonitrile under 3040 Torr; for 15h; Product distribution; Heating; other catalysts, phosphine, bases, solvents; palladium-catalyzed reductive heteroannulation of 2-nitrostyrenes in the presence of CO; | 84% |
| Multi-step reaction with 2 steps 1: 96.6 percent / Fe / acetic acid; ethanol / 5 h / Heating 2: 46.3 percent / p-benzoquinone, LiCl, PdCl2(CH3CN)2 / tetrahydrofuran / 22 h / 100 °C / sealed tube View Scheme | |
| Multi-step reaction with 4 steps 1: 96.6 percent / Fe / acetic acid; ethanol / 5 h / Heating 2: pyridine / 0.33 h / Heating 3: 76.7 percent / p-benzoquinone, LiCl, PdCl2(CH3CN)2 / tetrahydrofuran / 18 h / Heating 4: 98 percent / 20percent aq. NaOH / methanol / 12 h / Heating View Scheme |
- 67-56-1
methanol
- 201230-82-2
carbon monoxide
- 90481-68-8
1-bromo-2-ethenyl-3-nitrobenzene
A
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With 1,3-bis-(diphenylphosphino)propane; palladium diacetate In N,N-dimethyl-formamide under 3040 Torr; for 22h; Heating; | A 76% B 17% |
- 1244651-69-1
N-(3-bromo-2-(2-(trimethylsilyl)ethynyl)phenyl)-2-hydroxy-2-methylpropanamide
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In N,N-dimethyl-formamide at 140℃; for 56h; Inert atmosphere; | 75% |
| With sodium hydroxide In N,N-dimethyl-formamide at 140℃; for 5h; Inert atmosphere; | 75% |
- 52488-36-5
4-bromo-1H-indole
| Conditions | Yield |
|---|---|
| With potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; potassium bromide In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; | 74% |
- 86626-38-2
4-bromo-2,3-dihydro-1H-indole
- 98-95-3
nitrobenzene
A
- 52488-36-5
4-bromo-1H-indole
B
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| With nickel-nitrogen-doped carbon framework In water at 145℃; for 18h; Inert atmosphere; Sealed tube; Green chemistry; | A 70% B 74% |
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Chemistry
The Molecular Structure of 4-Bromoindole (CAS NO.52488-36-5):
Empirical Formula: C8H6BrN
Molecular Weight: 196.0439
IUPAC Name: 4-bromo-1H-indole
Appearance: Clear yellowish-green or dark brown liquid
Product Categories: blocks;Bromides;IndolesOxindoles;Indole/indoline/oxindole;Indoles and derivatives;pharmacetical;Heterocycles series;Halides;Pyrroles & Indoles;Indole;Indoles;Indole Derivatives;Simple Indoles;Pyrroles & Indoles;Halogenated Heterocycles;Heterocyclic Building Blocks;IndolesBuilding Blocks
Nominal Mass: 195 Da
Average Mass: 196.0439 Da
Monoisotopic Mass: 194.968354 Da
Index of Refraction: 1.711
Molar Refractivity: 46.21 cm3
Molar Volume: 118 cm3
Surface Tension: 54.8 dyne/cm
Density: 1.66 g/cm3
Flash Point: 145.5 °C
Enthalpy of Vaporization: 53.61 kJ/mol
Boiling Point: 316.9 °C at 760 mmHg
Vapour Pressure: 0.000738 mmHg at 25°C
Refractive index: n20/D 1.655(lit.)
Storage temp: 0-6°C
Sensitive: Light Sensitive
Uses
4-Bromoindole (CAS NO.52488-36-5) is used as organic intermediates.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
Hazard Note: Keep Cold/Light Sensitive
HazardClass: irritant, keep cold
Specification
4-Bromoindole (CAS NO.52488-36-5) is also called as 4-bromoindole97% ; 4-bromoindole,98% ; 4-Bromo-1h-indole,4-bromoindole ; 4-Bromo-1h-indazole ; 4-Bromo-indole pure .