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2,5-Dichlor-3-nitrobenzoesure
DINOBEN · TIMTEC-BB SBB003246 · 2,5-Dichloro-3-nitro · 2,5-dichloro-3-nitrobenzoic · 2,5-DICHLORO-3-NITROBENZOIC ACID · 3-nitro-2,5-dichlorobenzoic acid · Benzoic acid, 2,5-dichloro-3-nitro- · 2,5-Dichloro-3-nitrobenzoic acid 98%
Identifikatoren & physikalische Daten
| CAS No. | 88-86-8 |
|---|---|
| Summenformel | C7H3Cl2NO4 |
| Durchschnittliche Molmasse | 236,01 g/mol |
| Monoisotopische Masse | 234,94391294 g/mol |
| SMILES | O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl |
| InChIKey | AUAXYMOBWXOEQD-UHFFFAOYSA-N |
| PubChem CID | 6951 |
| ChEMBL | CHEMBL2260701 |
| EC No. | 201-862-2 |
| DTXSID | DTXSID3041372 |
| Lokaler Name | 2,5-Dichlor-3-nitrobenzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 255 |
| Schmelzpunkt | 216-220 °C (lit.) |
| Siedepunkt | 366.5±42.0 °C(Predicted) |
| Dichte | 1.713±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 1.56±0.20(Predicted) |
| BRN | 1976119 |
| InChI | 1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12) |
| InChIKey | AUAXYMOBWXOEQD-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(Cl)cc(c1Cl)[N+]([O-])=O |
| CAS Datenbank | 88-86-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2,5-Dichloro-3-nitrobenzoic acid (88-86-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2916399090 |
| RTECS-Nr. | DG7875000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,5-Dichloro-3-nitrobenzoic Acid is used in process for the preparation of organic halides.