HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlorbuttersure
2-Chlorobutanoic acid · 3-CHLOROBUTYRIC ACID · 2-chlorbutyricacid · 2-ChlorobutyricAci · B-ChlorobutyricAcid · 2-CHLOROBUTYRIC ACID · Crotamiton Impurity 28 · Butyric acid, 2-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 4170-24-5 |
|---|---|
| Summenformel | C4H7ClO2 |
| Durchschnittliche Molmasse | 122,55 g/mol |
| Monoisotopische Masse | 122,01345714 g/mol |
| SMILES | CCC(Cl)C(=O)O |
| InChIKey | RVBUZBPJAGZHSQ-UHFFFAOYSA-N |
| PubChem CID | 20137 |
| EC No. | 224-029-5 |
| DTXSID | DTXSID70961912 |
| Lokaler Name | 2-Chlorbuttersure |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 72,1 |
| Schmelzpunkt | 76.2-77 °C |
| Siedepunkt | 90-92 °C12 mm Hg(lit.) |
| Dichte | 1.190 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.439 |
| Flammpunkt | 112°C |
| Löslichkeit | Soluble in water |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 2.86(at RT℃) |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 1720944 |
| InChI | InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7) |
| InChIKey | RVBUZBPJAGZHSQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(Cl)CC |
| CAS Datenbank | 4170-24-5(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 2-chloro-(4170-24-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Butanoic acid, 2-chloro- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 2915.90.1800 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Chlorobutyric acid was used in the synthesis of 2-hydroxy-5-hexenyl 2-chlorobutyrate ester.