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2-Naphthyloxyessigsure
BNO · BNOA · (2-NAPHTHYLOXY)ACETIC ACID · (2-Naphthalenyloxy)acetic acid · β-Naphthoxyacetic acid · BETA-NAPHTHOXYACETIC ACID · noa · NOXA
Identifikatoren & physikalische Daten
| CAS No. | 120-23-0 |
|---|---|
| Summenformel | C12H10O3 |
| Durchschnittliche Molmasse | 202,21 g/mol |
| Monoisotopische Masse | 202,06299418 g/mol |
| SMILES | O=C(O)COc1ccc2ccccc2c1 |
| InChIKey | RZCJYMOBWVJQGV-UHFFFAOYSA-N |
| PubChem CID | 8422 |
| ChEMBL | CHEMBL1732186 |
| ChEBI | CHEBI:50397 |
| EC No. | 204-380-0 |
| DTXSID | DTXSID2042195 |
| Lokaler Name | 2-Naphthyloxyessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 227 |
| SpringerMaterials Properties | Fusion temperature |
| Pestizide | Plant Growth RegulatorsActive substance -> EU Pesticides database: Not approved |
| LogP (Verteilungskoeffizient) | 2.530 |
| Schmelzpunkt | 156 °C151-154 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 151.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2042195] |
| Siedepunkt | 300.32°C (rough estimate) |
| Dichte | 1.1868 (rough estimate) |
| Brechungsindex | 1.5440 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in DMSOSoluble in alcohol, ether, acetic acid and dimethyl sulfoxide. Slightly soluble in water. |
| pKa (Säurekonstante) | 3.18±0.30(Predicted) |
| Aggregatzustand | crystalline |
| Farbe | gray |
| Merck | 14,6397 |
| BRN | 1074148 |
| Henry-Konstante | 3.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14) |
| InChIKey | RZCJYMOBWVJQGV-UHFFFAOYSA-N |
| SMILES | OC(=O)COc1ccc2ccccc2c1 |
| LogP (Verteilungskoeffizient) | 2.530 |
| CAS Datenbank | 120-23-0(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, (2-naphthyloxy)-(120-23-0) |
| EPA chemische Informationen | Naphthoxyacetic acid (120-23-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, (2-naphthalenyloxy)-Commission Regulation (EC) No 33/20082009/65, Reg. (EU) No 1127/2011(2-Naphthalenyloxy)acetic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| RTECS-Nr. | AI9659000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 500 mg/kg |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Naphthoxyacetic acid is a phytohormone used as a plant growth regulator on tomatoes and strawberries.