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| CAS No.: | 617-92-5 |
|---|---|
| Name: | N-ETHYLPYRROLE |
| Article Data: | 35 |
| Molecular Structure: | |
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|
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| Formula: | C6H9N |
| Molecular Weight: | 95.1442 |
| Synonyms: | Pyrrole,1-ethyl- (6CI,7CI,8CI);1-Ethyl-1H-pyrrole;1-Ethylpyrrole;N-Ethylpyrrole;NSC6756; |
| Density: | 0.86 g/cm3 |
| Melting Point: | 6.5°C (estimate) |
| Boiling Point: | 118.5 °C at 760 mmHg |
| Flash Point: | 25.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 11 |
| Safety: | 9-16-26-36 |
| Transport Information: | UN 1993 |
| PSA: | 4.93000 |
| LogP: | 1.50800 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With potassium hydroxide; PEG-400-Et2 In water; benzene at 30℃; for 2h; | 88% |
| With potassium hydroxide; PEG-400-Et2 In water; benzene at 45℃; for 2h; Product distribution; other heterocycles; var. solvents, var. phase transfer catalysts; | 84% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; tetrabutylammomium bromide at 25℃; for 24h; | 85% |
| With potassium tert-butylate; 18-crown-6 ether In diethyl ether for 1h; Ambient temperature; | 83% |
| With potassium hydroxide; tetrabutylammomium bromide Product distribution; multistep reaction: 1.) room temperature, 1 h, 2.) 24 h; alkylation with phase transfer catalysis without solvent; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In dimethyl sulfoxide for 0.833333h; | 65% |
- 116773-23-0, 116773-26-3
1,1-diethyl-5-phenyl-1,5-diazapentadiene
A
- 617-92-5
1-ethyl-1H-pyrrole
B
- 19983-83-6
1-ethyl-2-methylpyrrole
C
- 62-53-3
aniline
D
- 100-61-8
N-methylaniline
| Conditions | Yield |
|---|---|
| at 800℃; under 0.007 Torr; for 1h; Further byproducts given. Title compound not separated from byproducts; | A 24% B 13% C 41% D 13% |
- 116773-15-0, 116773-27-4
1-ethyl-1-methyl-5-phenyl-1,5-diazapentadiene
A
- 96-54-8
N-Methylpyrrole
B
- 617-92-5
1-ethyl-1H-pyrrole
C
- 600-29-3
1,2-dimethylpyrrole
D
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| at 800℃; under 0.004 Torr; for 3h; Further byproducts given. Title compound not separated from byproducts; | A 21% B 13% C 14% D 37% |
- 52866-26-9
((E)-Buta-1,3-dienyl)-diethyl-amine
A
- 616-43-3
3-methylpyrrole
B
- 1551-06-0
2-ethyl-1H-pyrrole
C
- 1551-16-2
3-ethyl-1H-pyrrole
D
- 617-92-5
1-ethyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| at 800℃; under 0.01 Torr; for 0.166667h; | A 17% B 7.5% C 2% D 14% |
- 116773-15-0, 116773-27-4
1-ethyl-1-methyl-5-phenyl-1,5-diazapentadiene
- 617-92-5
1-ethyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| at 500℃; | 15% |
- 52866-26-9
((E)-Buta-1,3-dienyl)-diethyl-amine
A
- 1551-06-0
2-ethyl-1H-pyrrole
B
- 1551-16-2
3-ethyl-1H-pyrrole
C
- 617-92-5
1-ethyl-1H-pyrrole
D
- 109-97-7
pyrrole
| Conditions | Yield |
|---|---|
| at 800℃; under 0.001 - 0.01 Torr; for 0.166667h; | A 7.5% B 2% C 14% D 6% |
| Conditions | Yield |
|---|---|
| Ueberleiten auf Palladium/Asbest bei 290grad; |
| Conditions | Yield |
|---|---|
| at 400℃; |
- Total:37 Page 1 of 1 1
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Specification
The 1H-Pyrrole, 1-ethyl-, with the CAS registry number of 617-92-5, is also known as N-Ethylpyrrole and 1-Ethyl-1H-pyrrole. It belongs to the product categories of Pyrroles (for Conduting Polymer Research); Reagents for Conducting Polymer Research; Pyrrole. This chemical's molecular formula is C6H9N and molecular weight is 95.14. What's more, its IUPAC name is 1-Ethylpyrrole. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 1H-Pyrrole, 1-ethyl- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.4; (6)ACD/BCF (pH 7.4): 12.4; (7)ACD/KOC (pH 5.5): 211.01; (8)ACD/KOC (pH 7.4): 211.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 31.41 cm3; (15)Molar Volume: 110 cm3; (16)Polarizability: 12.45×10-24 cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.86 g/cm3; (19)Flash Point: 25.5 °C; (20)Enthalpy of Vaporization: 34.2 kJ/mol; (21)Boiling Point: 118.5 °C at 760 mmHg; (22)Vapour Pressure: 19.8 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Bromoethane with Pyrrole. This reaction needs reagents Potassium hydroxide and PEG-400-Et2. Meanwhile, it needs solvents H2O and Benzene. The reaction time is 2 hours with reaction temperature of 30 °C. The yield is about 88 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce N-(1-Ethyl-1H-pyrrol-2-yl)dibenzenesulfonimide. The reaction needs reagent NaF and solvent CHCl3. The reaction time is 12 hours. The yield is about 65 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition. What's more, it must be placed in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cccn1CC
(2) InChI: InChI=1/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3
(3) InChIKey: VPUAYOJTHRDUTK-UHFFFAOYAL