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Broxyquinolin
BROXYQUINOLINE · Brodiar · Colipar · Colepur · Fenilor · Paramiba · Paramibe · Pavamibe
Identifikatoren & physikalische Daten
| CAS No. | 521-74-4 |
|---|---|
| Summenformel | C9H5Br2NO |
| Durchschnittliche Molmasse | 302,95 g/mol |
| Monoisotopische Masse | 300,87379 g/mol |
| SMILES | Oc1c(Br)cc(Br)c2cccnc12 |
| InChIKey | ZDASUJMDVPTNTF-UHFFFAOYSA-N |
| PubChem CID | 2453 |
| ChEMBL | CHEMBL223448 |
| ChEBI | CHEBI:109543 |
| EC No. | 208-317-8 |
| DTXSID | DTXSID9045849 |
| Lokaler Name | Broxyquinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 190 |
| SpringerMaterials Properties | Boiling point |
| Collision Cross Section | 137.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]136.76 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | 198-200 °C(lit.) |
| Siedepunkt | 363.74°C (rough estimate) |
| Dichte | 2.189 |
| Brechungsindex | 1.6400 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.23±0.30(Predicted) |
| Farbe | Off-White to Pale Beige |
| Merck | 14,1453 |
| BRN | 153624 |
| CAS Datenbank | 521-74-4(CAS DataBase Reference) |
| EPA chemische Informationen | Broxyquinoline (521-74-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Treatment | EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration. |
| Gesundheitliche Auswirkungen | Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627) |
| Expositionspfade | Oral (L626)inhalation (L626)dermal (L626) |
| Toxizitätsübersicht | Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543) |
| Signs and Symptoms | Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334900 |
| RTECS-Nr. | VC5300000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
antiinfectant, disinfectant