2-Acetylpyrrole (CAS 1072-83-9) — formula C6H7NO, molecular weight 109.05 g/mol.
2-Acetylpyrrole is a chemical compound with CAS registry number 1072-83-9 and molecular formula C6H7NO (molecular weight 109.05 g/mol).
CAS number: 1072-83-9
Its molecular formula C6H7NO comprises 6 C, 7 H, 1 N, 1 O atoms.
Also known as: 2-Acetylpyrrole · 2-Acetyl Pyrrole
The CAS registry number of 2-Acetylpyrrole is 1072-83-9.
Molecular formula C6H7NO, molecular weight 109.05 g/mol.
It is also registered under: 2-Acetylpyrrole, 2-Acetyl Pyrrole.
Public-database records for 2-Acetylpyrrole (CAS 1072-83-9), reproduced here for independent cross-checking.
| GHS 通报统计 | 2.6% (37 / 1440) |
|---|---|
| 已通报的危害声明 | H315 (97.4%) |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Bread, Cocoa, Hazelnut, Licorice, Walnut No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 2.6% (37 / 1440) |
| 沸点 | 220.00 °C. @ 760.00 mm Hg |
|---|---|
| 熔点 | 90 °C |
| LogP | 0.93 |
| CAS 号 | 1072-83-9 |
|---|---|
| PubChem CID | 14079 |
| 分子式 | C6H7NO |
| 分子量 | 109.05 g/mol |
| IUPAC 名称 | 1-(1H-pyrrol-2-yl)ethanone |
| InChIKey | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| UNII（FDA） | 9K28W7PM6N |
| ChEBI 编号 | CHEBI:59981 |
| FEMA 编号 | 3202 |
| JECFA 编号 | 1307 |
2-ACETYLPYRROLE; 1072-83-9; 1-(1H-Pyrrol-2-yl)ethanone; 1-(1H-Pyrrol-2-yl)ethan-1-one; 2-Pyrrolylethanone; Ethanone, 1-(1H-pyrrol-2-yl)-; Methyl pyrrol-2-yl ketone; Ketone, methyl pyrrol-2-yl; Methyl 2-pyrrolyl ketone; 2-Acetyl-1H-pyrrole; 2-Pyrrolyl methyl ketone; 1-(2-Pyrrolyl)-1-ethanone; FEMA No. 3202; DTXSID0047084; 9K28W7PM6N; CHEBI:59981
| 分子量 | 109.13 |
|---|---|
| XLogP3 | 0.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 1 |
| 精确质量 | 109.052763847 |
| 单同位素质量 | 109.052763847 |
| 拓扑极性表面积 | 32.9 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
2-乙酰基吡咯;2-乙酰吡咯;2-吡咯乙酮 的 CAS 号为 1072-83-9，分子式 C6H7NO，分子量 109.05 g/mol。 UNII 9K28W7PM6N; ChEBI 59981; InChIKey IGJQUJNPMOYEJY-UHFFFAOYSA-N. 沸点: 220.00 °C. @ 760.00 mm Hg; 熔点: 90 °C; LogP: 0.93.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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