HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxy-2'-methoxy-2-naphthanilid
CelcotRK · NAPHTOLS · Azotol OA · Celcot RK · C.I. 37530 · Diathol BO · Diathol OL · Naftolo MOL
Identifikatoren & physikalische Daten
| CAS No. | 135-62-6 |
|---|---|
| Summenformel | C18H15NO3 |
| Durchschnittliche Molmasse | 293,3 g/mol |
| Monoisotopische Masse | 293,10519334 g/mol |
| SMILES | COc1ccccc1NC(=O)c1cc2ccccc2cc1O |
| InChIKey | AQYMRQUYPFCXDM-UHFFFAOYSA-N |
| PubChem CID | 67274 |
| ChEMBL | CHEMBL2094499 |
| EC No. | 205-206-6 |
| DTXSID | DTXSID6038877 |
| Lokaler Name | 3-Hydroxy-2'-methoxy-2-naphthanilid |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 387 |
| Collision Cross Section | 168.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6038877] |
| Schmelzpunkt | 161-164 °C(lit.) |
| Siedepunkt | 424.1±30.0 °C(Predicted) |
| Dichte | 1.304±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.74±0.40(Predicted) |
| Farbe | Off-White to Pale Beige |
| CAS Datenbank | 135-62-6(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Hydroxy-2-naphthoyl-ortho-anisidide(135-62-6) |
| EPA chemische Informationen | 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)- (135-62-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (1 of 58) of reports.WarningH315 (72.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)-REACH registered substance: 3-hydroxy-2'-methoxy-2-naphthanilide (EC: 205-206-6)2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)-: 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 | Skin Irrit. 2 (72.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924.29.3300 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Herstellung & Synthese
synthetische
O-Anisidine and 3-Hydroxy-2-naphthoic acid condensation.