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tert-Butylhypochlorit
tbuocl · t-Butyl hypochlorite · Hypochlorous acid, 1,1-dimethylethyl ester · HypochL · tert-C4H9OCl · tert-Butoxy chloride · orous Acid tert-ButyL · TERT-BUTYL HYPOCHLORITE
Identifikatoren & physikalische Daten
| CAS No. | 507-40-4 |
|---|---|
| Summenformel | C4H9ClO |
| Durchschnittliche Molmasse | 108,57 g/mol |
| Monoisotopische Masse | 108,03419259 g/mol |
| SMILES | CC(C)(C)OCl |
| InChIKey | IXZDIALLLMRYOU-UHFFFAOYSA-N |
| PubChem CID | 521297 |
| EC No. | 208-072-7 |
| DTXSID | DTXSID3074941 |
| Lokaler Name | tert-Butylhypochlorit |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 37,3 |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Tert-butyl hypochlorite appears as a slightly yellowish liquid with a pungent odor. Water insoluble. Corrosive to the skin, eyes, and mucous membranes. |
| Siedepunkt | 79.6℃ (750 Torr) |
| Dichte | 0.96 |
| Brechungsindex | 1.4010-1.4050 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Pale Yellow to Yellow |
| Merck | 14,1571 |
| Stabilität | Unstable. Light-sensitive. Highly flammable. Incompatible with strong oxidizing agents. Keep refrigerated below 10 C. |
| InChI | InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3 |
| InChIKey | IXZDIALLLMRYOU-UHFFFAOYSA-N |
| SMILES | ClOC(C)(C)C |
| EPA chemische Informationen | Hypochlorous acid, 1,1-dimethylethyl ester (507-40-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P220, P222, P231, P233, P240, P241, P242, P243, P260, P264, P271, P280, P283, P284, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P306+P360, P316, P321, P342+P316, P363, P370+P378, P371+P380+P375, P403, P403+P235, P405, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Hypochlorous acid, 1,1-dimethylethyl esterStatus: Active Update: 14-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27424 |
| DOT-Kennzeichnung | Spontaneously Combustible Corrosive |
| Brandgefahren | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:· Flammable/combustible material. |
| Gesundheitsgefahren | Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:· Fire will produce irritating, corrosive and/or toxic gases. |
| DOT-Nummer und Handbuch | 3255 135 |
| Reaktive Gruppe | Oxidizing Agents, Strong |
| Reactivity Alerts | Strong Oxidizing Agent |
| Reactivity Profile | TERT-BUTYL HYPOCHLORITE decomposes exothermically when exposed to UV light to give acetone and chloromethane. Glass containers have burst because of pressure buildup after exposure to fluorescent lighting or daylight. Reacts violently with rubber. Should not be heated to its boiling point. |
| DOT Hazard Classification | tert-Butyl hypochloriteUN3255Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)PG I: the degree of danger presented by the material is great |
| Air and Water Reactions |
Anwendungen & Verwendung
Verwenden
Dehydration of alcohols; N- and C-chlorinations.