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4-Chlorbenzoylchlorid
P-CHLOROBENZOYL CHLORIDE · PCOC · SKL755 · 4-Chlorobenzoyl · 4-Chlorobenzoyl chlo · Chloride to chlorine · 4-Chlorbenzoylchlorid · Indapamide Impurity E
Identifikatoren & physikalische Daten
| CAS No. | 122-01-0 |
|---|---|
| Summenformel | C7H4Cl2O |
| Durchschnittliche Molmasse | 175,01 g/mol |
| Monoisotopische Masse | 173,9639201 g/mol |
| SMILES | O=C(Cl)c1ccc(Cl)cc1 |
| InChIKey | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| PubChem CID | 8501 |
| ChEBI | CHEBI:60716 |
| EC No. | 204-515-3 |
| DTXSID | DTXSID4051619 |
| Lokaler Name | 4-Chlorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 128 |
| Dampfdruck | 0.05 [mmHg]5.8-73.9Pa at 20-50℃ |
| Physical Description | Clear colorless liquidmp = 12-14 deg C[Acros Organics MSDS] |
| Schmelzpunkt | 11-14 °C (lit.) |
| Siedepunkt | 102-104 °C/11 mmHg (lit.) |
| Dichte | 1.365 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.578(lit.) |
| Flammpunkt | 221 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Chloroform, DMSOReacts with water. Reacts with alcohol. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to faintly colored |
| Explosionsgrenze | 1.5-15%(V) |
| BRN | 471606 |
| Stabilität | Stable. Moisture sensitive. Incompatible with strong oxidizing agents. |
| InChI | 1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
| InChIKey | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(Cl)cc1 |
| LogP (Verteilungskoeffizient) | 2.52 at 25℃ |
| CAS Datenbank | 122-01-0(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chlorobenzoic acid chloride(122-01-0) |
| EPA chemische Informationen | Benzoyl chloride, 4-chloro- (122-01-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (60.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (33.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 157 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Benzoyl chloride, 4-chloro-Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/56014-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs[RTECS] A skin and eye irritantMay cause skin sensitization[ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chlorideCauses burns and lachrymationInhalation may cause corrosive injuries to respiratory tract[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (99.4%)Eye Dam. 1 (60.5%)STOT SE 3 (33.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Skin Sensitizer - An agent that can induce an allergic reaction in the skin.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| RTECS-Nr. | DM6635510 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A |
| Gefahrenklasse | 8Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer. 4-Chlorobenzoyl chloride may be used in the following studies Acylation of benzene using different solid acid catalysts such as dodecatungstophosphoric acid (DTPA), DTPA/K-10 clay, K-10, Amberlite, Amberlyst-15, Indion-130, Filtrol-24 clay and sulfated zirconia, Preparation of 1-(4-chlorobenzoyl)-2, 7-dimethoxynaphthalene, Preparation of 4-chlorobenzoyl CoA, via reaction with CoA in KHCO3 buffer, Preparation of 1-aryloxyacetyl-4-(4-chlorobenzoyl)-semicarbazides.