HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylcyclopropancarbonsure
2-Methylcyclopropylcarboxylic acid · 2-Methylcyclopropanecarboxylic acid · 2-METHYLCYCLOPROPANECARBOXYLICCID 98% · 2-Methyl-1-cyclopropanecarboxylic acid · Cyclopropanecarboxylic acid, 2-methyl- · 2-Methylcyclopropanecarboxylic acid,98% · 2-Methylcyclopropanecarboxylic acid 98% · (Z+E)-2-methyl cyclopropane carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 29555-02-0 |
|---|---|
| Summenformel | C5H8O2 |
| Durchschnittliche Molmasse | 100,12 g/mol |
| Monoisotopische Masse | 100,0524295 g/mol |
| SMILES | CC1CC1C(=O)O |
| InChIKey | AYEGPMGNMOIHDL-UHFFFAOYSA-N |
| PubChem CID | 99873 |
| EC No. | 228-141-5 |
| DTXSID | DTXSID50871363 |
| Lokaler Name | 2-Methylcyclopropancarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 98,3 |
| Siedepunkt | 190-191 °C745 mm Hg(lit.) |
| Dichte | 1.027 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 4.88±0.11(Predicted) |
| Farbe | Colourless |
| Wichte | 1.027 |
| BRN | 2323873 |
| InChI | 1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7) |
| InChIKey | AYEGPMGNMOIHDL-UHFFFAOYSA-N |
| SMILES | CC1CC1C(O)=O |
| LogP (Verteilungskoeffizient) | 0.570 (est) |
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)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29162090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Methylcyclopropanecarboxylic acid is used in preparation of Spirocyclic Dihydroindols as HPK1 inhibitors.