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| CAS No.: | 53924-05-3 |
|---|---|
| Name: | 7-Chloroindole |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6ClN |
| Molecular Weight: | 151.595 |
| Synonyms: | 7-Chloro-1H-indole; |
| EINECS: | 258-865-7 |
| Density: | 1.331 g/cm3 |
| Melting Point: | 55-58 °C(lit.) |
| Boiling Point: | 293 °C at 760 mmHg |
| Flash Point: | 158.9 °C |
| Appearance: | Beige-yellowish powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.79000 |
| LogP: | 2.82130 |
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- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 1h; Reflux; | 98% |
- 114144-22-8
2,3-dihydro-7-chloro-1H-indole
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| With salcomine; oxygen In methanol at 20℃; for 24h; | 94% |
| With salcomine In methanol for 4h; Ambient temperature; | 70% |
| With palladium on activated charcoal In toluene at 135℃; for 15h; | 66% |
| With oxygen In methanol at 120℃; under 3800.26 Torr; for 12h; | 79 %Chromat. |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; zinc(II) chloride for 0.0833333h; microwave irradiation; | 80% |
- 642494-37-9
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1H-indole
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| With copper dichloride In methanol; water at 80℃; for 4h; | 75% |
| With copper dichloride In methanol; water at 80℃; for 4.5h; Inert atmosphere; Schlenk technique; | 42% |
- 7477-63-6
7-chloroisatin
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| With potassium borohydride; boron trifluoride diethyl etherate In tetrahydrofuran at -10 - -5℃; Inert atmosphere; | 71% |
- 5367-26-0
3-chloro-2-nitrotoluene
- 4637-24-5
N,N-dimethyl-formamide dimethyl acetal
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| Stage #1: 3-chloro-2-nitrotoluene; N,N-dimethyl-formamide dimethyl acetal With pyrrolidine In 1,4-dioxane at 102℃; for 9h; Leimgruber-Batcho Indole Synthesis; Reflux; Inert atmosphere; Stage #2: With hydrazine hydrate In 1,4-dioxane at 45℃; for 1h; Leimgruber-Batcho Indole Synthesis; | 70% |
- 1826-67-1
vinyl magnesium bromide
- 88-73-3
2-Chloronitrobenzene
A
- 59-48-3
2-oxoindole
B
- 53924-05-3
7-chloro-1H-indole
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -40℃; | A 33% B 63% |
| Conditions | Yield |
|---|---|
| Stage #1: vinyl magnesium bromide; 2-Chloronitrobenzene In tetrahydrofuran at -40 - 0℃; for 2.5h; Bartoli Indole Synthesis; Stage #2: With ammonium chloride In tetrahydrofuran at 0℃; for 0.5h; Bartoli Indole Synthesis; | 60% |
| In tetrahydrofuran at -40℃; for 1h; | 56% |
- 1826-67-1
vinyl magnesium bromide
- 88-73-3
2-Chloronitrobenzene
A
- 53924-05-3
7-chloro-1H-indole
B
- 1445721-16-3
3,3’-ethane-1,1-diylbis(7-chloro-1H-indole)
| Conditions | Yield |
|---|---|
| Stage #1: vinyl magnesium bromide; 2-Chloronitrobenzene In tetrahydrofuran at -40 - 0℃; for 2.5h; Stage #2: With potassium hydrogensulfate In tetrahydrofuran; water at 0℃; for 0.5h; Reagent/catalyst; | A 8% B 34% |
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Chemistry
The Molecular Structure of 7-Chloroindole (CAS NO.53924-05-3):
Empirical Formula: C8H6ClN
Molecular Weight: 151.5929
IUPAC Name: 7-chloro-1H-indole
Appearance: Beige-yellowish powder
Product Categories: INDOLE;blocks;IndolesOxindoles;Indoles and derivatives;Indoles;Halides;Pyrroles & Indoles;Halogenated Heterocycles;Heterocyclic Building Blocks;IndolesBuilding Blocks
Nominal Mass: 151 Da
Average Mass: 151.5929 Da
Monoisotopic Mass: 151.018877 Da
Index of Refraction: 1.688
Molar Refractivity: 43.42 cm3
Molar Volume: 113.8 cm3
Surface Tension: 52.6 dyne/cm
Density: 1.331 g/cm3
Flash Point: 158.9 °C
Enthalpy of Vaporization: 51.13 kJ/mol
Boiling Point: 293 °C at 760 mmHg
Vapour Pressure: 0.00309 mmHg at 25°C
InChI
InChI=1/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
Smiles
c12[nH]ccc1cccc2Cl
Synonyms: EINECS 258-865-7 ; rarechem ah bs 0085 ; timtec-bb sbb004058
Safety Profile
Hazard Codes: 
Xi
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
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
7-Chloroindole (CAS NO.53924-05-3) is also called as 7-Chloroindazole ; 1H-indole,7-chloro-(9ci) ; 7-Chloroindole,98% .