Identifikatoren & physikalische Daten
| CAS No. | 14495-13-7 |
|---|
| Summenformel | C9H7NO |
|---|
| Durchschnittliche Molmasse | 145,16 g/mol |
|---|
| Monoisotopische Masse | 145,05276384 g/mol |
|---|
| SMILES | Oc1cccc2cccnc12 |
|---|
| InChIKey | MCJGNVYPOGVAJF-UHFFFAOYSA-N |
|---|
| PubChem CID | 1923 |
|---|
| ChEMBL | CHEMBL310555 |
|---|
| ChEBI | CHEBI:48981 |
|---|
| EC No. | 205-711-1 |
|---|
| DTXSID | DTXSID5020730 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|
| Polarare Oberfläche (TPSA) | 33,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 138 |
|---|
| Stoffklassen | Nitrogen Compounds -> QuinolinesIndustrial compound |
|---|
| Arzneimittel | PharmaceuticalsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Antibiotics |
|---|
| Kosmetika | Cosmetic ingredients (Oxyquinoline) -> CIR (Cosmetic Ingredient Review)Stabilizing |
|---|
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
|---|
| Pestizide | Bactericides, Fungicides |
|---|
| LogP (Verteilungskoeffizient) | log Kow = 2.02 |
|---|
| Geruch | Phenolic odor |
|---|
| Dichte | 1.034 at 408 °F (NTP, 1992) - Denser than waterwill sink1.034 @ 20 °C |
|---|
| Color/Form | White crystals or white crystalline powder |
|---|
| Löslichkeit | less than 1 mg/mL at 61 °F (NTP, 1992)InsolubleSoluble in alcohol, acetone, chloroform, benzene, and in formic, acetic, hydrochloric, and sulfuric acids and alkalies.1 part in 1500 parts waterIn water, 556 mg/l @ 20 °C |
|---|
| Siedepunkt | 513 °F at 760 mmHg (NTP, 1992)Approx 267 °C267 °C @760 [mm Hg] |
|---|
| Decomposition | WHEN HEATED TO DECOMP EMITS HIGHLY TOXIC FUMES OF /NITROGEN OXIDES/. |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.6% (2 of 343) of reports.H301 (49.3%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|
| Regulatorische Informationen | Chemical: 8-QuinolinolHazard Traits - Reproductive ToxicityRegulation (EC) No 396/2005 (amended)Status: Active Update: 13-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/193568-Hydroquinoline: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Quinolinols: Human health tier II assessment |
|---|
| DOT-Kennzeichnung | Poison |
|---|
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
|---|
| Brandpotenzial | Combustible when exposed to heat or flame. |
|---|
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and respiratory tract. It also causes irritation of the gastrointestinal tract. |
|---|
| Gefahrenübersicht | Oral LD50 (rat) = 1.2 g/kgCauses convulsions when given intraperitoneally(ip) with an LD50 (rat) = 50 mg/kg[HSDB] An irritantHarmful if swallowedCauses mutagenic effects and tumors in animals after high-dose feeding studies[MSDSonline] |
|---|
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
|---|
| Special Reports | Toxicology ReviewInternist 15 (1): 7 (1974) |
|---|
