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2-Benzylacrylic Acid
NSC 192640 · 2-Benzyl Acrylic · 2-BenzylacrylicAci · BENZYL ACRYLIC ACID · 2-BENZYLACRYLIC ACID · A-BENZYLACRYLIC ACID · o-benzyl acrylic acid · 2-BENZYLACRYLIC ACIDE
Identifikatoren & physikalische Daten
| CAS No. | 5669-19-2 |
|---|---|
| Summenformel | C10H10O2 |
| Durchschnittliche Molmasse | 162,18 g/mol |
| Monoisotopische Masse | 162,06807956 g/mol |
| SMILES | C=C(Cc1ccccc1)C(=O)O |
| InChIKey | RYNDYESLUKWOEE-UHFFFAOYSA-N |
| PubChem CID | 303571 |
| ChEMBL | CHEMBL3799698 |
| EC No. | 438-550-2 |
| DTXSID | DTXSID60972138 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 178 |
| Schmelzpunkt | 66-68 °C |
| Siedepunkt | 170-174 °C(Press: 20 Torr) |
| Dichte | 1.120 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.48±0.11(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12) |
| InChIKey | RYNDYESLUKWOEE-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)C(=C)C(=O)O |
| CAS Datenbank | 5669-19-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22238 |
| Hazard Classes and Categories | Acute Tox. 3 (12.5%)Eye Irrit. 2 (100%) |
| Zollcode | 29163990 |
Anwendungen & Verwendung
Verwenden
Racecodotril intermediate
Verwenden
2-Benzylacrylic acid is an organic acid compound, primarily used as an organic synthesis reagent or pharmaceutical intermediate. It can be used in the preparation of polymeric molecular brush hydrogels, the enkephalinase inhibitor Acetorphan, and nano-pesticide formulations.