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2-Fluorbenzoylchlorid
O-FLUOROBENZOYL CHLORIDE · SKL751 · NSC 88304 · uorobenzoyL · 2-Fluorobenzoyl · o-Fluorobenzoyl · AKOS BBS-00003920 · Ataluren impurity D
Identifikatoren & physikalische Daten
| CAS No. | 393-52-2 |
|---|---|
| Summenformel | C7H4ClFO |
| Durchschnittliche Molmasse | 158,56 g/mol |
| Monoisotopische Masse | 157,99347065 g/mol |
| SMILES | O=C(Cl)c1ccccc1F |
| InChIKey | RAAGZOYMEQDCTD-UHFFFAOYSA-N |
| PubChem CID | 9808 |
| ChEMBL | CHEMBL1606202 |
| EC No. | 206-887-2 |
| DTXSID | DTXSID3025330 |
| Lokaler Name | 2-Fluorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dichte | 1.304 at 68 °F (NTP, 1992) - Denser than waterwill sink1.328 g/cu cm at 25 °C1.328 g/mL at 25 °C (lit.) |
| Color/Form | Liquid |
| Löslichkeit | Decomposes (NTP, 1992)Chloroform (Slightly)Decomposition |
| Flammpunkt | 180 °F (NTP, 1992) |
| Siedepunkt | 403 °F at 760 mmHg (NTP, 1992)206 °CBoiling point = 90-92 °C at 15 mm Hg90-92 °C/15 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride and hydrogen flouride/. |
| Schmelzpunkt | 39 °F (NTP, 1992)4 °C4 °C (lit.) |
| Dampfdruck | 0.46 [mmHg] |
| Brechungsindex | Index of refraction: 1.5365 at 20 °C/Dn20/D 1.536(lit.) |
| Physical Description | 2-fluorobenzoyl chloride is a colorless liquid. (NTP, 1992)[CAMEO] |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.328 |
| Farbe | Clear colorless to faintly colored |
| BRN | 636864 |
| InChI | 1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H |
| InChIKey | RAAGZOYMEQDCTD-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1C(Cl)=O |
| CAS Datenbank | 393-52-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 2-fluoro-(393-52-2) |
| EPA chemische Informationen | o-Fluorobenzoyl chloride (393-52-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (66.9%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 23-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/264182-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include strong irritation of the skin, eyes and mucous membranes, lachrymation and corrosion of tissues. |
| Gefahrenübersicht | A strong skin, eye, and mucous membrane irritantA corrosive substance that causes lacrimation[CAMEO] CorrosiveCauses burnsReacts violently with waterMay cause chemical pneumonitis after inhalation of high concentrations[MSDSonline] |
| Reaktive Gruppe | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | 2-FLUOROBENZOYL CHLORIDE is sensitive to moisture. Incompatible with water, alcohol, bases (including amines) and with oxidizing agents (NTP, 1992). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| Air and Water Reactions | Decomposes in water to form HCl with generation of heat (NTP, 1992) |
| Hazard Classes and Categories | Met. Corr. 1 (66.9%) |
| Brandbekämpfung | This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. 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 soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Non-Human Toxicity Excerpts | /GENOTOXICITY/ Negative in the Ames salmonella assay using strains TA 98, TA 100, TA 1535, TA 1537 at 10-666 ug/plate with rat, liver, S-9, aroclor 1254. |
| Non-Human Toxicity Values | LD50 Mouse iv 100 mg/kg |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| RTECS-Nr. | DM6640000 |
| R-Sätze (R) | 34-37-36/37-14 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 393-52-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
2-Fluorobenzoyl Chloride (cas# 393-52-2) is a compound useful in organic synthesis.