HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Anthracen-9-carbonsure
9-ANTHRACENECARBOXYLIC ACID · 9-AC · 9-ANTHROIC ACID · ANTHRACENE-9-CARBOXYLIC ACID · Anthra · AKOS MSC-0134 · 9-anthroicaci · 9-Anthroate acid
Identifikatoren & physikalische Daten
| CAS No. | 723-62-6 |
|---|---|
| Summenformel | C15H10O2 |
| Durchschnittliche Molmasse | 222,24 g/mol |
| Monoisotopische Masse | 222,06807956 g/mol |
| SMILES | O=C(O)c1c2ccccc2cc2ccccc12 |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| PubChem CID | 2201 |
| ChEMBL | CHEMBL1513985 |
| ChEBI | CHEBI:34507 |
| EC No. | 211-964-9 |
| DTXSID | DTXSID7049427 |
| Lokaler Name | Anthracen-9-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 277 |
| Dampfdruck | 0.00000022 [mmHg] |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 213-217 °C (lit.) |
| Siedepunkt | 323.41°C (rough estimate) |
| Dichte | 1.1404 (rough estimate) |
| Brechungsindex | 1.6600 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | H2O: solubleinsoluble |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1: 3.65 (25°C) |
| Farbe | Yellow |
| BRN | 1875336 |
| InChI | 1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17) |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1c2ccccc2cc3ccccc13 |
| CAS Datenbank | 723-62-6(CAS DataBase Reference) |
| NIST chemische Informationen | 9-Anthroic acid(723-62-6) |
| EPA chemische Informationen | 9-Anthracenecarboxylic acid (723-62-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.DangerH301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 10 reports by companies.There are 4 notifications provided by 7 of 10 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 | Chemical: 9-Anthracenecarboxylic acidStatus: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/299539-Anthracenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 750 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 3 (10%)Skin Irrit. 2 (60%)Eye Irrit. 2 (60%)STOT SE 3 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | CB8764000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Toxizität | pic-esc 127 mg/well MUREAV 260,349,91 |
| Gefahrensymbole | Xi,C,Xn |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 37/39-26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Anthracene-9-carboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.