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5-Chlorvaleriansaeure
5- · 5-CHLOROPENTANOIC ACID · CVA · ITGB5 · AChRα3-AB-CHMFUPPYCA · 5-Chlorovaleric · ethyl 5-benzyl-4 · 5-CHLOROPENTANOIC
Identifikatoren & physikalische Daten
| CAS No. | 1119-46-6 |
|---|---|
| Summenformel | C5H9ClO2 |
| Durchschnittliche Molmasse | 136,58 g/mol |
| Monoisotopische Masse | 136,02910721 g/mol |
| SMILES | O=C(O)CCCCCl |
| InChIKey | YSXDKDWNIPOSMF-UHFFFAOYSA-N |
| PubChem CID | 14244 |
| ChEBI | CHEBI:60701 |
| EC No. | 214-279-3 |
| DTXSID | DTXSID60149767 |
| Lokaler Name | 5-Chlorvaleriansaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 18 °C (lit.) |
| Siedepunkt | 136 °C / 14mmHg |
| Dichte | 1.170 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.454(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, DMSO, Ethyl Acetate |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 4+-.0.10(Predicted) |
| Farbe | Clear Colourless |
| Wichte | 1.17 |
| pH | 2.5 (100g/l, H2O, 20℃)(as an emulsion) |
| BRN | 1745183 |
| InChI | 1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8) |
| InChIKey | YSXDKDWNIPOSMF-UHFFFAOYSA-N |
| SMILES | OC(=O)CCCCCl |
| CAS Datenbank | 1119-46-6(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Chlorovaleric acid(1119-46-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.1%): 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 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 5-chlorovaleric acid (EC: 214-279-3)5-Chlorovaleric acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (91.1%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3265 |
| Zollcode | 29159080 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Eye Dam. 1Skin Corr. 1B |
Anwendungen & Verwendung
Verwenden
5-Chlorovaleric acid was used to derivatize L-hydroxyproline for the synthesis of haptens HP1 and HP2. These haptens were used in the preparation of antibodies against L-hydroxyproline.