Introduction：Basic information about 1-Methylpyrrole CAS 96-54-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Methylpyrrole Basic information
| Product Name: | 1-Methylpyrrole |
| Synonyms: | N-Methylpyrrol;Pyrrole, 1-methyl-;pyrrole,1-methyl-;1-methyl-1h-pyrrole;1-METHYLPYRROLE;METHYLPYRROLE;1-METHYLPYRROLE 99+%;N-Methylpyrrole,99% |
| CAS: | 96-54-8 |
| MF: | C5H7N |
| MW: | 81.12 |
| EINECS: | 202-513-7 |
| Product Categories: | Building Blocks;Heterocyclic Building Blocks;Pyrroles;Functional Materials;Pyrroles (for Conduting Polymer Research);Reagents for Conducting Polymer Research;pyrrole;Imidazoles |
| Mol File: | 96-54-8.mol |
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1-Methylpyrrole Chemical Properties
| Melting point | -57 °C (lit.) |
| Boiling point | 112-113 °C (lit.) |
| density | 0.914 g/mL at 25 °C (lit.) |
| vapor density | 2.8 (vs air) |
| vapor pressure | 15 mm Hg ( 20.2 °C) |
| refractive index | n20/D 1.489 |
| Fp | 59 °F |
| storage temp. | Store below +30°C. |
| solubility | 13g/l |
| form | liquid |
| pka | -2.80±0.70(Predicted) |
| color | yellow-brown |
| PH | 10.4 (10g/l, H2O, 10℃) |
| Odor | at 1.00 % in dipropylene glycol. powerful smoky woody herbal |
| Odor Type | woody |
| biological source | synthetic |
| explosive limit | 1.4-8.5%(V) |
| Water Solubility | Soluble in organic solvents such as alcohol and so on, but insoluble in water. |
| BRN | 104181 |
| Major Application | flavors and fragrances |
| InChI | 1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 |
| InChIKey | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
| SMILES | Cn1cccc1 |
| LogP | 1.210 |
| CAS DataBase Reference | 96-54-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Pyrrole, 1-methyl-(96-54-8) |
| EPA Substance Registry System | 1H-Pyrrole, 1-methyl- (96-54-8) |
Safety Information
| Hazard Codes | F,Xi,Xn |
| Risk Statements | 11-36/37/38-37/38-22 |
| Safety Statements | 16-26-36-37-25-23 |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| RTECS | UX9640000 |
| Autoignition Temperature | 400 °C |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29339990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral
Flam. Liq. 2
Skin Irrit. 2 |
| Toxicity | LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg |
1-Methylpyrrole Usage And Synthesis
| Description | 1-Methylpyrrole is a fundamental structural unit employed in synthesis, belonging to the class of pyrrole compounds. It can be used as a monomer for preparing thin-film polymers and is utilised in electrochemical research. It also participates in photoaddition and substitution reactions, and is used to prepare hybrid compounds such as 1-methyl-2-(1,2-diphenylethyl)pyrrole. |
| Chemical Properties | clear yellow to light brown liquid |
| Uses | Organic synthesis. |
| Uses | 1-Methylpyrrole, can be used as organic synthetic materials, widely used in medicine. It is also used as a pharmaceutical intermediate. |
| Definition | ChEBI: 1-Methylpyrrole is a member of pyrroles. |
| Hazard | Flammable, dangerous fire risk. |
| Purification Methods | Dry N-methylpyrrole with CaSO4, then fractionally distil it from KOH immediately before use. [Beilstein 20 III/IV 2080, 20/5 V 8.] |
1-Methylpyrrole Preparation Products And Raw materials
| Raw materials | 1H-Pyrrole, 2,3-bis[(1,1-dimethylethyl)thio]-1-methyl--->1H-Pyrrole, 1-methyl-2-(methylthio)--->METHYL PYRROLE-1-CARBOXYLATE-->Methyl 4-(3-cyanopyridin-2-yl)-5-formyl-1H-pyrrole-3-carboxylate-->N-ETHYLPYRROLE-->1H-pyrrole, 1,2-diMethyl--->3,3-Dimethyl-1-butene-->Methylamine hydrochloride-->2,5-Dimethoxytetrahydrofuran-->Ethyl 3-bromopropionate-->1-Methylpyrrolidine-->Succinaldehyde |
| Preparation Products | 1-METHYLPYRROLE-2-CARBONYL CHLORIDE-->(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE-->3,4'-Dichlorodiphenyl ether-->ethyl 1-methylpyrrole-2-carboxylate-->2-METHYL-1H-PYRROLE-->Trigonelline |
