2-Chlorbenzaldehyd
ORTHO CHLORO BENZALDEHYDE · OCBA · O-CHLOROBENZALDEHYDE · OCAD · 2-Clorobenzaldeide · o-Chlorobenzaldehyde 2-Chlorobenzaldehyde · usafm-7 · USAF m-7
Identifikatoren & physikalische Daten
| CAS No. | 35913-09-8 |
|---|---|
| Summenformel | C7H5ClO |
| Durchschnittliche Molmasse | 140,56 g/mol |
| Monoisotopische Masse | 140,0028925 g/mol |
| SMILES | O=Cc1ccccc1Cl |
| InChIKey | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
| PubChem CID | 6996 |
| ChEMBL | CHEMBL1547989 |
| EC No. | 201-956-3 |
| DTXSID | DTXSID5024764 |
| Lokaler Name | 2-Chlorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Schmelzpunkt | 9-11 °C (lit.) |
| Siedepunkt | 209-215 °C (lit.) |
| Dichte | 1.248 g/mL at 25 °C (lit.) |
| Dampfdichte | 4.84 (vs air) |
| Dampfdruck | 1.27 mm Hg ( 50 °C) |
| Brechungsindex | n20/D 1.566(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Store in RT |
| Löslichkeit | 1.8g/l0.1-0.5 g/100 mL at 24 ºC |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| pH | 2.9 (H2O)(saturated aqueous solution) |
| Geruch | Penetrating odor |
| BRN | 385877 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strong reducing agents. Moisture and light-sensitive. |
| InChI | 1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
| InChIKey | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccccc1Cl |
| LogP (Verteilungskoeffizient) | 2.44 at 25℃ |
| CAS Datenbank | 89-98-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2-chloro-(89-98-5) |
| EPA chemische Informationen | 2-Chlorobenzaldehyde (89-98-5) |
Sicherheit & Vorschriften
| F | 8-9-23 |
|---|---|
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29130000 |
| RTECS-Nr. | CU5075000 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 orally in Rabbit: 2160 mg/kg |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 89-98-5(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 746 °F |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzaldehyde can be used to make alcohols, acids, and dyes; used in the rubber, tanning, and paper industries; used as an intermediate for optical brighteners, agricultural chemicals, and pharmaceuticals.It can also be used to prepare triphenyl methane and related dyes, organic intermediate.
Herstellung & Synthese
synthetische
2-Chlorobenzaldehyde is produced mainly by chlorination of 2-chlorotoluene to form 2-chlorobenzal chloride, which is then subjected to acid hydrolysis. Metal salts, such as iron(III) chloride, are used as catalysts. The hydrolysis can also be accomplished using formic acid without a catalyst.2-Chlorobenzaldehyde can also be produced by oxidation of 2-chlorobenzyl chloride with N-oxides of tertiary amines or with dilute nitric acid.https://pubchem.ncbi.nlm.nih.gov/compound/2-Chlorobenzaldehyde