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2,4-Dichlorbenzaldehyd
DICHLOROBENZALDEHYDE · 2,4-DCAD · AKOS BBS-00003196 · 2,4-Dichlorobenzalde · Miconazole Impurity 19 · 2,4-DICHLOROBENZALDEHYDE · 2,4-dichloro-benzaldehyd · 4-Dichlorobenzenaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 874-42-0 |
|---|---|
| Summenformel | C7H4Cl2O |
| Durchschnittliche Molmasse | 175,01 g/mol |
| Monoisotopische Masse | 173,96392011 g/mol |
| SMILES | O=Cc1ccc(Cl)cc1Cl |
| InChIKey | YSFBEAASFUWWHU-UHFFFAOYSA-N |
| PubChem CID | 13404 |
| ChEMBL | CHEMBL1531235 |
| EC No. | 212-861-1 |
| DTXSID | DTXSID1022130 |
| Lokaler Name | 2,4-Dichlorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Dichte | 1.33 at 212 °F (NTP, 1992) - Denser than waterwill sink1.3456 (rough estimate) |
| Löslichkeit | less than 1 mg/mL at 75 °F (NTP, 1992)<0.1 g/100 mL at 24 ºC |
| Flammpunkt | 275 °F (NTP, 1992)135 °C |
| Siedepunkt | 451 °F at 760 mmHg (NTP, 1992)233 °C (lit.) |
| Schmelzpunkt | 156 to 163 °F (NTP, 1992)64-69 °C (lit.) |
| Physical Description | 2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992) |
| Brechungsindex | 1.5756 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder, Crystals and/or Chunks |
| Farbe | Light yellow to beige |
| BRN | 471601 |
| InChI | 1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H |
| InChIKey | YSFBEAASFUWWHU-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(Cl)cc1Cl |
| CAS Datenbank | 874-42-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2,4-dichloro-(874-42-0) |
| EPA chemische Informationen | Benzaldehyde, 2,4-dichloro- (874-42-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2,4-dichloro-2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | This compound is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. |
| Reaktive Gruppe | Aldehydes |
| Reactivity Profile | 2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992) |
| Air and Water Reactions | Sensitive to light. May also be sensitive to prolonged exposure to air and moisture. Insoluble in water. |
| Hazard Classes and Categories | Skin Corr. 1C (96.2%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29130000 |
| R-Sätze (R) | 34-51/53-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 3470 mg/kg |
| Gefahrensymbole | C,N,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-37/39 |
| Gefahrenklasse | 8Aquatic Chronic 2Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 440 °C |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.