HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chlordifluoressigsure
2-chloro-2,2-difluoroacetic acid · Chlorodifluoroacetic · CDFA · DIFLUOROCHLOROACETIC ACID · RARECHEM AL BO 1535 · Difluorochloricacid · Chlordifluoressigsure · chlrodifluoroacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 76-04-0 |
|---|---|
| Summenformel | C2HClF2O2 |
| Durchschnittliche Molmasse | 130,48 g/mol |
| Monoisotopische Masse | 129,96331339 g/mol |
| SMILES | O=C(O)C(F)(F)Cl |
| InChIKey | OAWAZQITIZDJRB-UHFFFAOYSA-N |
| PubChem CID | 66154 |
| EC No. | 200-928-8 |
| DTXSID | DTXSID8058792 |
| Lokaler Name | Chlordifluoressigsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 91,7 |
| Stoffklassen | Other Classes -> Organic Acids |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Clear colorless to light brown liquidmp = 20 deg C[Acros Organics MSDS] |
| Schmelzpunkt | 20-23 °C (lit.) |
| Siedepunkt | 122 °C (lit.) |
| Dichte | 1.54 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.355(lit.) |
| Flammpunkt | 121-122°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | pK1: 0.46 (25°C) |
| Farbe | Colorless to Brown |
| Wichte | 1.540 |
| Löslichkeit | soluble |
| BRN | 956625 |
| Henry-Konstante | 2.5×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| InChI | 1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7) |
| InChIKey | OAWAZQITIZDJRB-UHFFFAOYSA-N |
| SMILES | OC(=O)C(F)(F)Cl |
| CAS Datenbank | 76-04-0(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, chlorodifluoro-(76-04-0) |
| EPA chemische Informationen | Acetic acid, chlorodifluoro- (76-04-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, chlorodifluoro- |
| Gefahrenübersicht | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Acros Organics MSDS] See Dichloroacetic acid, Trichloroacetic acid, and Trifluoroacetic acid. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29159080 |
| R-Sätze (R) | 35 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
It is employed as a starting material for generating difluorocarbene. It is also used as a pharmaceutical and agrochemicals intermediate.