HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorbuttersure
4-Chlorobutanoic acid · NSC 6391 · NSC 76578 · Cl(CH2)3COOH · Levetiracetam-12 · 4-ChlorobutyricAci · RARECHEM AL BO 0177 · 4-Chlorobutanoicacid
Identifikatoren & physikalische Daten
| CAS No. | 627-00-9 |
|---|---|
| Summenformel | C4H7ClO2 |
| Durchschnittliche Molmasse | 122,55 g/mol |
| Monoisotopische Masse | 122,01345714 g/mol |
| SMILES | O=C(O)CCCCl |
| InChIKey | IPLKGJHGWCVSOG-UHFFFAOYSA-N |
| PubChem CID | 12300 |
| EC No. | 210-977-7 |
| DTXSID | DTXSID8060828 |
| Lokaler Name | 4-Chlorbuttersure |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 62,7 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 12-16 °C(lit.) |
| Siedepunkt | 196 °C22 mm Hg(lit.) |
| Dichte | 1.24 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.451(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Ether |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.52(at RT℃) |
| Farbe | Colorless to Almost colorless |
| BRN | 1700264 |
| InChI | InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7) |
| InChIKey | IPLKGJHGWCVSOG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCl |
| CAS Datenbank | 627-00-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Chlorobutyric acid (627-00-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chlorobutanoic Acid is an impurity of Levetiracetam(L331500) which is (S)-enantiomer of Etiracetam (E932970) and the ethyl analog of Piracetam (P500800). Used as an anticonvulsant. Neuroprotective & Neuroresearch Product.