HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 22831749Erstellt: 2. November 2026
4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester
Ethyl-2-trifluoromethyl-4-cyclopropyl-5-pyrimidine carboxylate · Ethyl 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylate · 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(trifluoromethyl)-, ethyl ester
https://huagongshe.com/de/chemical/22831749
Identifikatoren & physikalische Daten
| CAS No. | 887409-11-2 |
|---|
| Summenformel | C11H11F3N2O2 |
|---|
| Durchschnittliche Molmasse | 260,21 g/mol |
|---|
| Monoisotopische Masse | 260,07726208 g/mol |
|---|
| SMILES | CCOC(=O)c1cnc(C(F)(F)F)nc1C1CC1 |
|---|
| InChIKey | LMPVTQRVSPFCJM-UHFFFAOYSA-N |
|---|
| PubChem CID | 22831749 |
|---|
| EC No. | 807-483-4 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|
| Polarare Oberfläche (TPSA) | 52,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 7 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 18 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 318 |
|---|
| Aggregatzustand | solid |
|---|
| InChI | 1S/C11H11F3N2O2/c1-2-18-9(17)7-5-15-10(11(12,13)14)16-8(7)6-3-4-6/h5-6H,2-4H2,1H3 |
|---|
| InChIKey | LMPVTQRVSPFCJM-UHFFFAOYSA-N |
|---|
| SMILES | FC(F)(F)C1=NC(C2CC2)=C(C(OCC)=O)C=N1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|
| Zollcode | 2933599590 |
|---|
| R-Sätze (R) | 22 |
|---|
| Gefahrensymbole | Xn |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 Oral |
|---|
