tert-butyl 1-pyrrolecarboxylate (CAS 5176-27-2) — formula C9H13NO2, molecular weight 167.20; category organic chemicals.
| CAS Number | 5176-27-2 |
|---|---|
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.20 |
| LogP | 1.9 |
| Category | Organic Chemicals |
tert-butyl 1-pyrrolecarboxylate is a carbon-based organic compound with CAS registry number 5176-27-2 and molecular formula C9H13NO2 (molecular weight 167.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5176-27-2
Its molecular formula C9H13NO2 comprises 9 C, 13 H, 1 N, 2 O atoms.
Also known as: tert-butyl 1-pyrrolecarboxylate · 1-吡咯甲酸叔丁酯
Category: organic chemicals
The CAS registry number of tert-butyl 1-pyrrolecarboxylate is 5176-27-2.
Molecular formula C9H13NO2, molecular weight 167.20.
It is also registered under: tert-butyl 1-pyrrolecarboxylate, 1-吡咯甲酸叔丁酯.
Category: Organic Chemicals.
Independent reference data for tert-butyl 1-pyrrolecarboxylate (CAS 5176-27-2), compiled from public chemistry databases.
| CAS Registry Number | 5176-27-2 |
|---|---|
| PubChem CID | 643494 |
| Molecular formula | C9H13NO2 |
| IUPAC name | tert-butyl pyrrole-1-carboxylate |
| Molecular Weight | 167.20 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 167.094628657 |
| Monoisotopic Mass | 167.094628657 |
| Topological Polar Surface Area | 31.2 |
| Heavy Atom Count | 12 |
tert-butyl 1H-pyrrole-1-carboxylate; 1H-pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester; RefChem:892143; 629-687-0; InChI=1/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H; 5176-27-2; N-Boc-pyrrole; tert-butyl pyrrole-1-carboxylate; MFCD00209559; 1-Boc-pyrrole; tert-Butyl 1-pyrrolecarboxylate; N-tert-Butoxycarbonyl-1H-pyrrole; T-BUTYL 1H-PYRROLE-1-CARBOXYLATE; pyrrole-1-carboxylic acid tert-butyl ester; N-Boc-pyrrole, 98%; t-butyl pyrrole-1-carboxylate
| 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]
tert-butyl 1-pyrrolecarboxylate · CAS 5176-27-2 · C9H13NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-吡咯甲酸叔丁酯