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Bromphenylmagnesium
PhMgBr · bromophenylmagnesium · Phenylmagnesium bromide, 2.8M solution in Diethyl ether · Phenylmagnesi · nesium bromide · Phenylbromomagnesium · bromophenyl-magnesiu · (Bromomagnesio)benzene
Identifikatoren & physikalische Daten
| CAS No. | 100-58-3 |
|---|---|
| Summenformel | C6.H5.Mg.Br |
| Durchschnittliche Molmasse | 181,31 g/mol |
| SMILES | [Br-].[Mg+2].[c-]1ccccc1 |
| InChIKey | ANRQGKOBLBYXFM-UHFFFAOYSA-M |
| PubChem CID | 66852 |
| ChEBI | CHEBI:51238 |
| EC No. | 202-867-2 |
| DTXSID | DTXSID3059214 |
| Lokaler Name | Bromphenylmagnesium |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 100 |
| Stoffklassen | Metals -> Metals, Organic Compounds |
| Dichte | 1.14Relative density: 1.134 mg/L at 25 °C1.134 g/mL at 25 °C |
| Color/Form | A solution in etherLiquid |
| Physical Description | 3 molar (76%) solution in diethyl ether: Yellow to brown liquid[Alfa Aesar MSDS] |
| Other Experimental Properties | Substances and mixtures, which In contact with water, emit flammable gases |
| Schmelzpunkt | 153-154 °C |
| Flammpunkt | −40 °F |
| Lagerbedingungen | water-free area |
| Löslichkeit | Miscible with tetrahydrofuran.reacts |
| Aggregatzustand | Liquid |
| Farbe | Yellow to brown |
| Wichte | 1.14 |
| BRN | 3588849 |
| InChI | InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1/h1-5H1H/q+1/p-1 |
| InChIKey | ANRQGKOBLBYXFM-UHFFFAOYSA-M |
| SMILES | C1([Mg]Br)C=CC=CC=1 |
| CAS Datenbank | 100-58-3(CAS DataBase Reference) |
| EPA chemische Informationen | Magnesium, bromophenyl- (100-58-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (39.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Bromophenylmagnesium (EC: 202-867-2)Magnesium, bromophenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Brandpotenzial | Dangerous fire risk, solution highly flammable. |
| Gefahrenübersicht | 3 molar solution in diethyl ether (CAS# 60-29-7): Reacts violently with water evolving flammable gasesMay form explosive peroxidesCauses burns[Alfa Aesar MSDS] See Methyl magnesium bromide, Cyclohexylmagnesium chloride, Phenylmagnesium chloride, and Ethyl magnesium bromide. |
| Hazard Classes and Categories | Flam. Liq. 2 (39.2%) |
| Entsorgungsverfahren | SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxizitätsübersicht | IDENTIFICATION AND USE: Phenylmagnesium bromide is used for chemical Synthesis as Grignard reagent. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: There are no data available. |
| Antidote and Emergency Treatment | /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B//SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B//SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/ |
| F | 1-3-10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3399 4.3/PG 1 |
| Zollcode | 29319090 |
| R-Sätze (R) | 12-14-22-34-19-11-67-40-37 |
| Gefahrensymbole | F+,C,F |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-33-29-7/8-6A-43B |
| Gefahrenklasse | 4.3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 100-58-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Phenylmagnesium Bromide is a reagent used in the preparation of arylcarbonimidic dichlorides via dichloroiodobenzene-mediated gem-dichlorination of aryl isonitriles.