NSC 174
3-Chloropropionic acid
CAS: 107-94-8
Molecular Formula: C3H5ClO2
NSC 174 - Names and Identifiers
| Name | 3-Chloropropionic acid |
| Synonyms | 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 |
NSC 174 - Physico-chemical Properties
| Molecular Formula | C3H5ClO2 |
| Molar Mass | 108.52 |
| Density | 1,27 g/cm3 |
| Melting Point | 37 °C |
| Boling Point | 203-205°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | freely soluble |
| Solubility | H2O: soluble50mg/mL, clear, colorless |
| Vapor Presure | 0.147mmHg at 25°C |
| Appearance | Crystalline Low Melting Mass |
| Color | White to beige |
| Merck | 14,2159 |
| BRN | 1098495 |
| pKa | 3.98(at 25℃) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.4380 (estimate) |
| Physical and Chemical Properties | physical and chemical properties: White Crystal
melting point 37-41°C
boiling point 203-205°C
flash point 125°C
water-soluble freely soluble |
| Use | For organic synthesis, medicine, dyes, pesticide intermediates. |
NSC 174 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R35 - Causes severe burns R34 - Causes burns R21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. 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 Germany | 1 |
| RTECS | UE8750000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
NSC 174 - Upstream Downstream Industry
| Raw Materials | Propionic acid |
| Downstream Products | 3-Chloropropionyl chloride |
NSC 174 - Reference Information
| LogP | 0.41 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 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 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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Raw Materials for NSC 174
Downstream Products for NSC 174