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3-Chlorbenzaldehyd
M-CHLOROBENZALDEHYDE · MCAD · ACAD1 · MCADH · AKOS BBS-00003158 · 3-Chlorbenzaldehyd · Chlorobenzaldehyde-3 · 3-CHLOROBENZALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 587-04-2 |
|---|---|
| Summenformel | C7H5ClO |
| Durchschnittliche Molmasse | 140,56 g/mol |
| Monoisotopische Masse | 140,00289246 g/mol |
| SMILES | O=Cc1cccc(Cl)c1 |
| InChIKey | SRWILAKSARHZPR-UHFFFAOYSA-N |
| PubChem CID | 11477 |
| ChEMBL | CHEMBL4567544 |
| EC No. | 209-596-9 |
| DTXSID | DTXSID1074591 |
| Lokaler Name | 3-Chlorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.26 |
| Schmelzpunkt | 9-12 °C (lit.) |
| Siedepunkt | 213-214 °C (lit.) |
| Dichte | 1.241 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.563(lit.) |
| Flammpunkt | 191 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 1.235 |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | insoluble |
| BRN | 507098 |
| InChI | 1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
| InChIKey | SRWILAKSARHZPR-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cccc(Cl)c1 |
| CAS Datenbank | 587-04-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 3-chloro-(587-04-2) |
| EPA chemische Informationen | Benzaldehyde, 3-chloro- (587-04-2) |
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 87 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 3-chloro-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.3-Chlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 1-9 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Chlorobenzaldehyde, is used as a medicine, dye intermediates and speciality chemicals. It is mainly used to produce medicine material and intermediate, chloral alcoholate and intermediate of acid mordant azurine-6B on dyestuff.