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2,2'-dichloressigsaeureanhydrid
DICHLOROACETIC ANHYDRIDE · DICHOLOROACETIC ANHYDRIDE · Dichloroacetetic anhydride · dichloro-aceticacianhydride · BIS(DICHLOROACETIC)ANHYDRIDE · Dichloroacetic anhydride 96% · Dichloroacetic anhydride,98% · dichloro-aceticacid-anhydride
Identifikatoren & physikalische Daten
| CAS No. | 4124-30-5 |
|---|---|
| Summenformel | C4H2Cl4O3 |
| Durchschnittliche Molmasse | 239,9 g/mol |
| Monoisotopische Masse | 237,875805 g/mol |
| SMILES | O=C(OC(=O)C(Cl)Cl)C(Cl)Cl |
| InChIKey | RQHMQURGSQBBJY-UHFFFAOYSA-N |
| PubChem CID | 77772 |
| EC No. | 223-924-8 |
| DTXSID | DTXSID5041011 |
| Lokaler Name | 2,2'-dichloressigsaeureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Kovats Retention Index | 1248 |
| Schmelzpunkt | ~30 °C |
| Siedepunkt | 214-216 °C (lit.) |
| Dichte | 1.574 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.483(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Acetonitrile (Soluble), Chloroform (Soluble) |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear colorless |
| BRN | 512173 |
| Stabilität | Moisture sensitive |
| InChI | 1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H |
| InChIKey | RQHMQURGSQBBJY-UHFFFAOYSA-N |
| SMILES | ClC(Cl)C(=O)OC(=O)C(Cl)Cl |
| CAS Datenbank | 4124-30-5 |
| EPA chemische Informationen | Acetic acid, dichloro-, anhydride (4124-30-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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. |
|---|---|
| Regulatorische Informationen | Dichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (97.5%)Skin Corr. 1B (100%)Acute Tox. 4 (97.5%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2923 8/PG 3 |
| Zollcode | 29154000 |
| RTECS-Nr. | AG6300000 |
| R-Sätze (R) | 20/21/22-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.