107-94-8 - Names and IdentifiersName3-Chloropropionic acidSynonymsNSC 174HSDB 20533-chloropropa
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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 |
Molecular Formula | C3H5ClO2 |
Molarmassa | 108.52 |
Täthet | 1,27 g/cm3 |
Melting Point | 37 °C |
Boling Point | 203-205°C(lit.) |
Blixtpunkt | >230°F |
Vattenlöslighet | freely soluble |
Solubility | H2O: soluble50mg/mL, clear, colorless |
Vapor Presure | 0.147mmHg at 25°C |
Utseende | Crystalline Low Melting Mass |
Färg | White to beige |
Merck | 14,2159 |
BRN | 1098495 |
pKa | 3.98(at 25℃) |
Lagringstillstånd | 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. |
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 |
Raw Materials | Propionic acid |
Downstream Products | 3-Chloropropionyl chloride |
LogP | 0.41 |
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 |
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