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Heptanoylchlorid
HeptanoyL · heptanoylchlorid · ENANTHYL CHLORIDE · ENANTHIC CHLORIDE · HEPTANOYL CHLORIDE · ENANTHOYL CHLORIDE · OENANTHIC CHLORIDE · n-hetanoyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 2528-61-2 |
|---|---|
| Summenformel | C7H13ClO |
| Durchschnittliche Molmasse | 148,63 g/mol |
| Monoisotopische Masse | 148,06549272 g/mol |
| SMILES | CCCCCCC(=O)Cl |
| InChIKey | UCVODTZQZHMTPN-UHFFFAOYSA-N |
| PubChem CID | 17313 |
| EC No. | 219-775-3 |
| DTXSID | DTXSID8062496 |
| Lokaler Name | Heptanoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 81 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless to light yellow liquid with a pungent odor[Acros Organics MSDS] |
| Schmelzpunkt | -84 °C |
| Siedepunkt | 173 °C (lit.) |
| Dichte | 0.96 g/mL at 25 °C (lit.) |
| Dampfdruck | 1.18hPa at 20℃ |
| Brechungsindex | n20/D 1.43(lit.) |
| Flammpunkt | 137 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in ChloroformREACTS |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| BRN | 605636 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3 |
| InChIKey | UCVODTZQZHMTPN-UHFFFAOYSA-N |
| SMILES | CCCCCCC(Cl)=O |
| CAS Datenbank | 2528-61-2(CAS DataBase Reference) |
| NIST chemische Informationen | Heptanoyl chloride(2528-61-2) |
| EPA chemische Informationen | Heptanoyl chloride (2528-61-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (68.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13180 |
| Gefahrenübersicht | Reacts with water evolving toxic gasCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsA lachrymatorHarmful by ingestion, inhalation, and skin absorption[Acros Organics MSDS] |
| Hazard Classes and Categories | Met. Corr. 1 (68.4%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 26-34-37 |
| Gefahrensymbole | T+,C |
| Sicherheitshinweise (S) | 26-36/37/39-38-45-25 |
| Gefahrenklasse | 8Acute Tox. 1 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Heptanoyl Chloride is used in the synthesis of novel class of 2-Aminopyrimidines as CDK1 and CDK2 inhibitors.