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3,5-Dichlorbenzaldehyd
RARECHEM AQ A2 0002 · 3,5-Dichlorobenzalde · Ixazomib Impurity 15 · 3,5-DICHLOROBENALDEHYDE · 3,5-dichloro-benzaldehyd · 3,5-DICHLOROBENZALDEHYDE · Benzaldehyde, 3,5-dichloro- · 3,5-Dichlorobenzaldehyde>3,5-Dichlorobenzaldehyde,97%
Identifikatoren & physikalische Daten
| CAS No. | 10203-08-4 |
|---|---|
| Summenformel | C7H4Cl2O |
| Durchschnittliche Molmasse | 175,01 g/mol |
| Monoisotopische Masse | 173,96392011 g/mol |
| SMILES | O=Cc1cc(Cl)cc(Cl)c1 |
| InChIKey | CASRSOJWLARCRX-UHFFFAOYSA-N |
| PubChem CID | 35746 |
| ChEMBL | CHEMBL4577243 |
| EC No. | 233-499-0 |
| DTXSID | DTXSID2064997 |
| Lokaler Name | 3,5-Dichlorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 117 |
| Schmelzpunkt | 63.5-65.5 °C (lit.) |
| Siedepunkt | 235-240°C |
| Dichte | 1.3456 (rough estimate) |
| Brechungsindex | 1.5756 (estimate) |
| Flammpunkt | 235-240°C |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 2040553 |
| InChI | 1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H |
| InChIKey | CASRSOJWLARCRX-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc(Cl)cc(Cl)c1 |
| CAS Datenbank | 10203-08-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Dichlorobenzaldehyde(10203-08-4) |
| EPA chemische Informationen | Benzaldehyde, 3,5-dichloro- (10203-08-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (95.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (95.8%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29130000 |
| R-Sätze (R) | 34-36/37/38-22 |
| Gefahrensymbole | C,Xi,Xn |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-22-37/39 |
| Gefahrenklasse | 8Aquatic Chronic 2Skin Irrit. 2Skin Sens. 1A |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,5-Dichlorobenzaldehyde was used as starting reagent during synthesis of β-aryl-β-amino acid enantiomers. It was used in the synthesis of dichlorophenylpyruvic acid.