Name | Butyryl chloride |
Synonyms | Butyryl chloride BUTYRYL CHLORIDE Butanoyl chloride BUTYROYL CHLORIDE BUTANOYL CHLORIDE N-BUTYRYL CHLORIDE N-BUTYROYL CHLORIDE N-BUTANOYL CHLORIDE BUTYRIC ACID CHLORIDE Butyric acid chloride N-BUTYRIC ACID CHLORIDE |
CAS | 141-75-3 |
EINECS | 205-498-5 |
InChI | InChI=1/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3 |
InChIKey | DVECBJCOGJRVPX-UHFFFAOYSA-N |
Molecular Formula | C4H7ClO |
Molar Mass | 106.55 |
Density | 1.026g/mLat 25°C(lit.) |
Melting Point | −89°C(lit.) |
Boling Point | 102°C(lit.) |
Flash Point | 71°F |
Water Solubility | decomposes |
Solubility | Miscible with ether. |
Vapor Presure | 39 hPa (20 °C) |
Vapor Density | 3.7 (vs air) |
Appearance | Liquid |
Color | Clear slightly yellow |
Merck | 14,1598 |
BRN | 605395 |
Storage Condition | Store below +30°C. |
Sensitive | Moisture Sensitive |
Explosive Limit | 2.5-7.3%(V) |
Refractive Index | n20/D 1.412(lit.) |
Physical and Chemical Properties | Character: colorless transparent liquid with pungent odor of hydrochloric acid. boiling point 102 ℃ freezing point -89 ℃ relative density 1.0277 refractive index 1.4121 flash point <21 ℃ solubility is miscible with ether. |
Use | Used in medicine, pesticide, flame retardant, water purification agent |
Risk Codes | R11 - Highly Flammable R34 - Causes burns |
Safety Description | S16 - Keep away from sources of ignition. S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
UN IDs | UN 2353 3/PG 2 |
WGK Germany | 1 |
RTECS | EM0595000 |
FLUKA BRAND F CODES | 13 |
TSCA | Yes |
HS Code | 2915 90 70 |
Hazard Class | 3 |
Packing Group | II |
Raw Materials | Acetone Acetone n-Butyric acid n-Butyric acid |
Downstream Products | Decamethrin Esfenvalerate |
A colorless transparent liquid having an irritating odor of hydrochloric acid. The relative density was 1. 0277. Freezing point -89 °c. Boiling point 102 °c (look kPa). Refractive index 4121. Miscible with ether. Decomposition in water or alcohol. This product is flammable, corrosive and toxic. Flash point <21 °c.
with butyric acid as raw material, with thionyl chloride chlorination (butyric acid: thionyl chloride -1:1.587) to butyryl chloride, reaction products often pressure distillation, collecting 95~115 deg C fraction, the finished product was obtained.
It is used in organic synthesis, and is used in medicine to synthesize uric acid.
freezing point | -89 ℃ |
LogP | 0.51 at 25℃ |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Application | used in organic synthesis butyryl chloride is the herbicide raffinidine, triphenyloxalone, an intermediate of thioxanthone. organic synthesis intermediate, used in the preparation of styrene-butadiene and drug-induced uric acid, qiangtongidine and the intermediate 2-ethyl-1, 3-cyclopentanedione. used in medicine, pesticide, flame retardant, water purifying agent, etc. |
production method | 1. From the reaction of butyric acid and thionyl chloride. Heating thionyl chloride to reflux, adding butyric acid Dropwise, adding it over about 4H, refluxing for 1H, distilling, collecting 95-115 ℃ fraction, redistilling once, collecting 101-105 ℃ fraction to obtain finished product, the yield was more than 70%. Phosphorus trichloride was also incorporated in the reaction in a yield of 75%. Industrial purity is greater than or equal to 99%. Raw material consumption quota: butyric acid 890kg/t, thionyl chloride 600kg/t. The preparation method is to heat the thionyl chloride to reflux in the reactor, add n-butyric acid Dropwise, add it in about 4H, and reflux for 1H, the crude butyryl chloride fraction at 95-115 ° C. Was collected by atmospheric distillation and further distilled to obtain the product. Reaction equation: CH3CH2CH2COCl + SOCl2 → CH3CH2CH2COCl + HCl ++ SO2 |
spontaneous combustion temperature | 280°C |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |