Butanoyl chloride, 4-chloro-
4-Chlorobutyryl chloride
CAS: 4635-59-0
Molecular Formula: C4H6Cl2O
Butanoyl chloride, 4-chloro- - Names and Identifiers
| Name | 4-Chlorobutyryl chloride |
| Synonyms | 4-CBC -Chlorobutyrylchloride 4-Chlorobutyl chloride 4-chloro-butyrylchlorid 4-Chlorobutyryl chloride R-CHLOROBUTYRYL CHLORIDE 4-chloro-butanoylchlorid 4-chloro butyryl chloride 4-chlorobutanoyl chloride 4-Chlorobutyrylcy Chloride Butanoyl chloride, 4-chloro- |
| CAS | 4635-59-0 |
| EINECS | 225-059-1 |
| InChI | InChI=1/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2 |
| InChIKey | CDIIZULDSLKBKV-UHFFFAOYSA-N |
Butanoyl chloride, 4-chloro- - Physico-chemical Properties
| Molecular Formula | C4H6Cl2O |
| Molar Mass | 141 |
| Density | 1.26g/mLat 25°C(lit.) |
| Melting Point | -47 °C |
| Boling Point | 173-174°C(lit.) |
| Flash Point | 163°F |
| Water Solubility | soluble in diethyl ether, ethanol, slightly soluble in water. |
| Vapor Presure | 3 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| BRN | 773860 |
| Storage Condition | Store below +30°C. |
| Sensitive | Moisture Sensitive |
| Explosive Limit | 5.5-11.7%(V) |
| Refractive Index | n20/D 1.461(lit.) |
| Physical and Chemical Properties | White to yellowish, irritating liquid. boiling point 173-174 ℃ relative density 1.2581 refractive index 1.4616 Flash Point 72 ℃ solubility in ether |
| Use | Used as pharmaceutical intermediates for the production of haloperidol, trichloroperidol |
Butanoyl chloride, 4-chloro- - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R23 - Toxic by inhalation R35 - Causes severe burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. 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.) S28A - |
| UN IDs | UN 3390 6.1/PG 1 |
| WGK Germany | 1 |
| RTECS | EM1406000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Note | Toxic/Corrosive/Moisture Sensitive |
| Hazard Class | 6.1 |
| Packing Group | II |
Butanoyl chloride, 4-chloro- - Nature
Open Data Verified Data
white to yellowish, irritating liquid. Boiling point 173~174 deg C. The relative density was 1. 2581. Refractive index 1.4616. Flash Point 72 °c. Soluble in ether.
Last Update：2024-01-02 23:10:35
Butanoyl chloride, 4-chloro- - Preparation Method
Open Data Verified Data
with y-butyrolactone as raw material, it was heated to 55~60 ℃ with zinc chloride, reacted for 1 hour, slowly added thionyl chloride, reacted for 2 hours, then raised to 80 ℃, the mixture was allowed to stand overnight, and the supernatant was taken out. After distillation, it was re-distilled once, and the fraction at 173-174 ° C. Was collected.
Last Update：2022-01-01 10:32:23
Butanoyl chloride, 4-chloro- - Use
Open Data Verified Data
It is useful as an intermediate of haloperidol and trihaloperidol.
Last Update：2022-01-01 10:32:23
Butanoyl chloride, 4-chloro- - Safety
Open Data Verified Data
- This product has strong irritation. Production equipment should be closed, the production workshop should have good ventilation. The operator should wear protective gear.
- it is stored in brown glass bottles and protected with wooden cases or plastic barrels. Store in a cool, dry, ventilated place. Sunscreen, moisture, away from fire, heat source. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:32:24
Butanoyl chloride, 4-chloro- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Used as a pharmaceutical intermediate for the production of haloperidol, trichloroperidol, etc. γ-chlorobutyryl chloride is a plant growth regulator The intermediate of anti-restrode is also the intermediate of pharmaceutical haloperidol. |
| production method | the preparation method is to place butyrolactone, anhydrous zinc chloride and thionyl chloride in a reaction bottle, stir at 55 ℃ for 12 hours, and distill under reduced pressure to collect the product. It is obtained by chlorination of γ-butyrolactone. Stir γ-butyrolactone and zinc chloride to heat up and react at 55-60 ℃ for 1h. Slowly add thionyl chloride at 60°C and react for 2h. The temperature was raised to 80 ℃ within 5-6h. Let it stand overnight, take the upper clear liquid and distilled at normal pressure and then steam again once, and collect the fraction to obtain 4-chlorobutyryl chloride. |
| auto-ignition temperature | 824 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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