HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-tert-Butylbenzoyl chloride
SKL1279 · 4-tert-Butylbenzoyl · butylbenzoylchloride · P-T-BUTYLBENZOYL CHLORIDE · 4-TERT-BTUYLBENZOYLCHLORIDE · P-TERT-BUTYLBENZOYL CHLORIDE · 4-TERT-BUTYLBENZOYL CHLORIDE · Benzoylchloride,p-tert-butyl-
Identifikatoren & physikalische Daten
| CAS No. | 1710-98-1 |
|---|---|
| Summenformel | C11H13ClO |
| Durchschnittliche Molmasse | 196,67 g/mol |
| Monoisotopische Masse | 196,06549272 g/mol |
| SMILES | CC(C)(C)c1ccc(C(=O)Cl)cc1 |
| InChIKey | WNLMYNASWOULQY-UHFFFAOYSA-N |
| PubChem CID | 74372 |
| EC No. | 216-973-1 |
| DTXSID | DTXSID0061903 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 185 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Clear very slightly yellow liquid[Acros Organics MSDS] |
| Schmelzpunkt | 177.5-179 °C(Solv: ligroine (8032-32-4)dichloromethane (75-09-2)) |
| Siedepunkt | 135 °C20 mm Hg(lit.) |
| Dichte | 1.007 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.536(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to very slightly yellow |
| Löslichkeit | Reacts with water. |
| BRN | 775793 |
| InChI | 1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3 |
| InChIKey | WNLMYNASWOULQY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(cc1)C(Cl)=O |
| CAS Datenbank | 1710-98-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 4-(1,1-dimethylethyl)-(1710-98-1) |
| EPA chemische Informationen | Benzoyl chloride, 4-(1,1-dimethylethyl)- (1710-98-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Reacts with water evolving hydrogen chlorideCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS] See 4-Chlorobenzoyl chloride. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-tert-Butylbenzoyl chloride is used as a reactant in the preparation of multi-branched structures based on triphenylamine for enhanced two-photon absorption.