HuagongsheHuagongshe Chemistry Print Report · For research reference only
tert-butyl N-(1,3-thiazol-4-yl)carbamate
tert-Butyl N-(1,3-thiazol-4-yl)carbaMate · 100682 · 4-(BOC-AMINO)-THIAZOLE · TERT-BUTYL(1,3-THIAZOL-4-YL) · tert-butyl thiazol-4-ylcarbamate · tert-butyl (1,3-thiazol-4-yl)carbamate · (1,3-Thiazol-4-yl)carbamic acid tert-butyl ester · CarbaMic acid, N-4-thiazolyl-, 1,1-diMethylethyl ester

Identifiers & Physical Properties
| CAS No. | 1235406-42-4 |
|---|---|
| Molecular formula | C8H12N2O2S |
| Average molar mass | 200.26 g/mol |
| Monoisotopic mass | 200.06194862 g/mol |
| SMILES | CC(C)(C)OC(=O)Nc1cscn1 |
| InChIKey | NNPOFSOQPYVUDW-UHFFFAOYSA-N |
| PubChem CID | 53241636 |
| EC No. | 862-884-1 |
| DTXSID | DTXSID70692875 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 79.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 191 |
| Melting point | 153-155 °C |
| Boiling point | 254.9±13.0 °C(Predicted) |
| Density | 1.242±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 12.39±0.70(Predicted) |
| Appearance | White to off-white Solid |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H302-H315-H319 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H335-H302-H315-H319 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
tert-butyl thiazol-4-ylcarbamate is an organic intermediate that can be prepared from thiazole-4-carboxylic acid via the Curtiss rearrangement reaction.