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4-chlornaphthalin-1,8-dicarbonanhydrid
4-Chloronaphthalic anhydride · 6-Chloro-1H,3H-benzo[de]isochromene-1,3-dione · 4-chloronaphthalicanhydride · 4-chloro-naphthalicanhydrid · 4-CHLORO-1,8-NAPHTHALIC ANHYDRIDE · 4-CHLORO-1,8-NAPHTHALENEDICARBOXYLIC · 6-Chlorobenzo[de]isochromene-1,3-dione · 4-CHLORO-1 8-NAPHTHALIC ANHYDRIDE TECH
Identifikatoren & physikalische Daten
| CAS No. | 4053-08-1 |
|---|---|
| Summenformel | C12H5ClO3 |
| Durchschnittliche Molmasse | 232,62 g/mol |
| Monoisotopische Masse | 231,9927217 g/mol |
| SMILES | O=C1OC(=O)c2ccc(Cl)c3cccc1c23 |
| InChIKey | UJEUBSWHCGDJQU-UHFFFAOYSA-N |
| PubChem CID | 77672 |
| ChEMBL | CHEMBL2323370 |
| EC No. | 223-760-7 |
| DTXSID | DTXSID1063279 |
| Lokaler Name | 4-chlornaphthalin-1,8-dicarbonanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 341 |
| Schmelzpunkt | 202-206 °C (dec.) |
| Siedepunkt | 332.56°C (rough estimate) |
| Dichte | 1.3447 (rough estimate) |
| Brechungsindex | 1.4530 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly, Sonicated)Hydrolyzes in water. |
| Aggregatzustand | Solid |
| Farbe | Off-White to Light Brown |
| BRN | 178072 |
| InChI | InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H |
| InChIKey | UJEUBSWHCGDJQU-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=O)C2=CC=C(Cl)C3=C2C1=CC=C3 |
| CAS Datenbank | 4053-08-1(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chloro-1,8-naphthalic anhydride(4053-08-1) |
| EPA chemische Informationen | 4-Chloronapthalic anhydride (4053-08-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 22-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32820 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322985 |
| RTECS-Nr. | QL6127295 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
4-Chloro-1,8-naphthalic anhydride is used in dyes and pigments. It is also used in agrochemical, pharmaceutical.