3-Acetyl-1-(phenylsulfonyl)pyrrole (CAS 81453-98-7) — formula C12H11NO3S, molecular weight 249.29; category organic chemicals.
| CAS Number | 81453-98-7 |
|---|---|
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.29 |
| LogP | 1.6 |
| Category | Organic Chemicals |
3-Acetyl-1-(phenylsulfonyl)pyrrole is a carbon-based organic compound with CAS registry number 81453-98-7 and molecular formula C12H11NO3S (molecular weight 249.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81453-98-7
Its molecular formula C12H11NO3S comprises 12 C, 11 H, 1 N, 3 O, 1 S atoms.
Also known as: 3-Acetyl-1-(phenylsulfonyl)pyrrole · 3-乙酰基-1-(苯磺酰基)吡咯
Category: organic chemicals
The CAS registry number of 3-Acetyl-1-(phenylsulfonyl)pyrrole is 81453-98-7.
Molecular formula C12H11NO3S, molecular weight 249.29.
It is also registered under: 3-Acetyl-1-(phenylsulfonyl)pyrrole, 3-乙酰基-1-(苯磺酰基)吡咯.
Category: Organic Chemicals.
Independent reference data for 3-Acetyl-1-(phenylsulfonyl)pyrrole (CAS 81453-98-7), compiled from public chemistry databases.
| CAS Registry Number | 81453-98-7 |
|---|---|
| PubChem CID | 555792 |
| Molecular formula | C12H11NO3S |
| IUPAC name | 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone |
| UNII (FDA) | HMS2566I06 |
| Molecular Weight | 249.29 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.04596439 |
| Monoisotopic Mass | 249.04596439 |
| Topological Polar Surface Area | 64.5 |
| Heavy Atom Count | 17 |
81453-98-7; 3-Acetyl-1-(phenylsulfonyl)pyrrole; DTXSID60339383; RefChem:496560; DTXCID00290464; 624-587-3; 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethanone; 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone; MFCD00067752; 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one; 1-(1-Benzenesulfonyl-1H-pyrrol-3-yl)-ethanone; 3-ACETYL-1-(PHENYLSULPHONYL)PYRROLE; 1-[1-(Phenylsulfonyl)-1H-pyrrol-3-yl]ethanone; 1-[1-(Phenylsulfonyl)-3-pyrrolyl]ethanone; 1-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]-1-ethanone; MLS000704507
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-Acetyl-1-(phenylsulfonyl)pyrrole · CAS 81453-98-7 · C12H11NO3S. UNII HMS2566I06.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-乙酰基-1-(苯磺酰基)吡咯