HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentabromphenol
NSC5717 · NSC 5717 · NSC-5717 · flammex5bp · Flammex 5BP · Pentabromfenol · pentabromo-pheno · PENTABROMOPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 608-71-9 |
|---|---|
| Summenformel | C6HBr5O |
| Durchschnittliche Molmasse | 488,59 g/mol |
| Monoisotopische Masse | 483,59442515 g/mol |
| SMILES | Oc1c(Br)c(Br)c(Br)c(Br)c1Br |
| InChIKey | SVHOVVJFOWGYJO-UHFFFAOYSA-N |
| PubChem CID | 11852 |
| ChEMBL | CHEMBL1235157 |
| EC No. | 210-167-3 |
| DTXSID | DTXSID9022079 |
| Lokaler Name | Pentabromphenol |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Stoffklassen | Other Classes -> Phenols |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP (Verteilungskoeffizient) | 65.3 |
| Color/Form | Monoclinic prisms from acetic acidneedles from alcohol |
| Löslichkeit | Insoluble (NTP, 1992)Soluble in ethanol, benzene, acetic acidslightly soluble in etherSoluble in carbon disulfideSolubility in water: noneChloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Siedepunkt | Sublimes (NTP, 1992)352.3±37.0 °C(Predicted) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/.Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Hydrogen bromide gas. |
| Schmelzpunkt | 445.1 °F (NTP, 1992)229.5 °C230 °C223-226 °C (lit.) |
| Dampfdruck | 0.00000038 [mmHg]Vapor pressure, Pa at 25 °C: 0.00005 |
| Physical Description | Pentabromophenol is a light brown powder. Insoluble in water. (NTP, 1992)Beige to brown solid[ICSC] Orange or tan powder[MSDSonline]BEIGE-TO-BROWN POWDER. |
| Ionization Efficiency | Negative1.9610.5Agilent XCTElectrospray ionizationammonia (10nM) |
| Dichte | 2.894 |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.43±0.33(Predicted) |
| Farbe | Needles from EtOH |
| BRN | 1876757 |
| Henry-Konstante | 1.8×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | SVHOVVJFOWGYJO-UHFFFAOYSA-N |
| SMILES | Oc1c(Br)c(Br)c(Br)c(Br)c1Br |
| CAS Datenbank | 608-71-9(CAS DataBase Reference) |
| NIST chemische Informationen | Pentabromophenol(608-71-9) |
| EPA chemische Informationen | Pentabromophenol (608-71-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationCardiovascular ToxicityDermatotoxicityEnvironmental PersistenceT - indicates a substance that is the subject of a final TSCA section 4 test rule. |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Not combustible. |
| Gesundheitsgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Gefahrenübersicht | No listed effects of short-term or long-term exposureInsufficient data are available on the effect of this substance on human health, therefore utmost care must be taken. [ICSC] A skin, eye, and respiratory tract irritant[HSDB] An irritant[MSDSonline] See Pentachlorophenol. |
| Reaktive Gruppe | Phenols and Cresols |
| Reactivity Profile | PENTABROMOPHENOL reacts as a weak acid. Incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat may be generated by the acid-base reaction with bases. |
| Chemical Dangers | Reacts with strong bases and strong oxidants. Decomposes on heating. This produces hydrogen bromide. |
| Air and Water Reactions |
Anwendungen & Verwendung
Verwenden
Flame retardant, molluscicide, and chemical intermediate.