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6-Hydroxy-2-naphthoic acid
6-HYDROXY-2-NAPTHOIC ACID · JACS-16712-64-4 · RARECHEM AL BO 0976 · TIMTEC-BB SBB008594 · 6-carboxy-2-naphthol · 6-hydroxy-2-naphthoicaci · 6-Hydroxy-2-phthoic acid · 6-HYDROXY-2-NAPHTOICACID
Identifikatoren & physikalische Daten
| CAS No. | 16712-64-4 |
|---|---|
| Summenformel | C11H8O3 |
| Durchschnittliche Molmasse | 188,18 g/mol |
| Monoisotopische Masse | 188,04734411 g/mol |
| SMILES | O=C(O)c1ccc2cc(O)ccc2c1 |
| InChIKey | KAUQJMHLAFIZDU-UHFFFAOYSA-N |
| PubChem CID | 85557 |
| ChEMBL | CHEMBL278950 |
| ChEBI | CHEBI:193581 |
| EC No. | 240-759-7 |
| DTXSID | DTXSID3029312 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 227 |
| Physical Description | Dry PowderCBI |
| Schmelzpunkt | 240-250 °C (lit.) |
| Siedepunkt | 283.17°C (rough estimate) |
| Dichte | 1.2100 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6400 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water99mg/L at 20℃ |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.34±0.30(Predicted) |
| Farbe | Pale brown |
| BRN | 2692084 |
| InChI | 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14) |
| InChIKey | KAUQJMHLAFIZDU-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2cc(O)ccc2c1 |
| LogP (Verteilungskoeffizient) | 2.1 |
| CAS Datenbank | 16712-64-4(CAS DataBase Reference) |
| EPA chemische Informationen | 6-Hydroxy-2-naphthoic acid (16712-64-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.DangerH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 8 of 131 reports by companies.There are 7 notifications provided by 123 of 131 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731 |
| Hazard Classes and Categories | Acute Tox. 4 (87.8%)Eye Dam. 1 (87%)STOT SE 3 (85.5%)Aquatic Chronic 3 (87%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29181990 |
| RTECS-Nr. | QN3722500 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748, |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.