107-94-8 - Names and IdentifiersName3-Chloropropionic acidSynonymsNSC 174HSDB 20533-chloropropa
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| Nombre | 3-Chloropropionic acid |
| Sinónimos | NSC 174 HSDB 2053 3-chloropropanoate 3-chloro-propionicaci 3-Chloropropanic acid 3-Chloropropionic acid β-Chloropropionic acid Dapoxetine impurity 27 3-Chloropropanoic acid acide3-chloropropanoique beta-Chloropropionic acid Propanoic acid, 3-chloro- Propionic acid, 3-chloro- Brexpiprazole Impurity 67 beta-monochloropropionicacid beta-Monochloropropionic acid |
| CAS | 107-94-8 |
| EINECS | 203-534-4 |
| InChI | InChI=1/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)/p-1 |
| InChIKey | QEYMMOKECZBKAC-UHFFFAOYSA-N |
| Fórmula Molecular | C3H5ClO2 |
| Masa Molar | 108.52 |
| Densidad | 1,27 g/cm3 |
| Punto de fusión | 37 °C |
| punto Boling | 203-205°C(lit.) |
| Punto Flash | >230°F |
| Disolución del agua | freely soluble |
| Solubilidad | H2O: soluble50mg/mL, clear, colorless |
| Presión de vapor | 0.147mmHg at 25°C |
| Apariencia | Crystalline Low Melting Mass |
| color | White to beige |
| Merck | 14,2159 |
| BRN | 1098495 |
| PKa | 3.98(at 25℃) |
| Condición de almacenamiento | Almacene por debajo de +30°C. |
| Índice de refracción | 1.4380 (estimate) |
| Propiedades físicas y químicas | physical and chemical properties: White Crystal melting point 37-41°C boiling point 203-205°C flash point 125°C water-soluble freely soluble |
| Uso | For organic synthesis, medicine, dyes, pesticide intermediates. |
| Símbolos de peligro | C - Corrosive |
| Códigos de riesgo | R35 - Causes severe burns R34 - Causes burns R21/22 - Harmful in contact with skin and if swallowed. |
| Descripción de seguridad | S26 En caso de contacto con los ojos, enjuagar inmediatamente con mucha agua y buscar asesoramiento médico. S36/37/39 Usar ropa de protección adecuada, guantes y protección ocular/facial. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3261 8/PG 2 |
| WGK Alemania | 1 |
| RTECS | UE8750000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| Número de aranceles | 29159080 |
| Clase de peligro | 8 |
| Packing Group | III |
| Raw Materials | Propionic acid |
| Downstream Products | 3-Chloropropionyl chloride |
| LogP | 0.41 |
| Uso | organic synthesis intermediate for the production of anti-epileptic pain drugs. used as pesticide and pharmaceutical intermediates used in organic synthesis. |
| production method | There are a variety of preparation methods. Propionic acid is chlorinated to 3-chloropropionic acid at about 20 °c under ultraviolet light; Very small amounts of hydroquinone may also be added to the acrylic acid and then reacted below 20 °c with dry hydrogen chloride. The final product was obtained by distillation under reduced pressure. Further, acrylonitrile was added to hot hydrochloric acid, and the reaction was conducted under reflux for 6 hours. The reactant was cooled, the resulting ammonium chloride was filtered, extracted with diethyl ether, washed with 20% ammonium chloride solution to remove hydrochloric acid, and dried to recover diethyl ether, followed by distillation under reduced pressure to obtain 3-chloropropionic acid. 3-chloropropionic acid can also be prepared by reacting acrolein with hydrogen chloride to form chloropropionaldehyde, followed by nitric acid oxidation, or by nitric acid oxidation of 3-chloro-1-propanol. |
| category | corrosive article |
| toxicity grade | high toxicity |
| Acute toxicity | subcutaneous-mouse LDL0: 1040 mg/kg |
| flammability hazard characteristics | flammable; Toxic chloride smoke generated by heating |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from oxidants and alkalis. |
| fire extinguishing agent | Sand, foam, water mist, carbon dioxide |
| Occupational Standard | SEL 5 mg/m3 |
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