4-Chlorobutyryl chloride
- CAS NO.：4635-59-0
- Empirical Formula: C4H6Cl2O
- Molecular Weight: 141
- MDL number: MFCD00000754
- EINECS: 225-059-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-09 19:09:56
What is 4-Chlorobutyryl chloride?
Chemical properties
Clear colorless to yellow liquid
The Uses of 4-Chlorobutyryl chloride
4-Chlorobutyryl chloride (4-CBCl) is mainly used in the production of pharmaceuticals and agrochemicals. It is used as pyrazinamide intermediate.
Synthesis Reference(s)
Synthesis, p. 538, 1973 DOI: 10.1055/s-1973-22254
Flammability and Explosibility
Non flammable
Toxicity
Oral LD50 Category 4. ATE = 300 - 2000 mg/kg
Dermal LD50 Based on ATE data, the classification criteria are not met. ATE > 2000 mg/kg.
Properties of 4-Chlorobutyryl chloride
| Melting point: | -47 °C |
| Boiling point: | 173-174 °C(lit.) |
| Density | 1.26 g/mL at 25 °C(lit.) |
| vapor pressure | 3 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 163 °F |
| storage temp. | Store below +30°C. |
| solubility | Chloroform, DMSO (Sparingly), Ethyl Acetate (Slightly) |
| form | Liquid |
| color | Clear colorless to yellow |
| explosive limit | 5.5-11.7%(V) |
| Water Solubility | soluble in diethyl ether, ethanol, slightly soluble in water. |
| Sensitive | Moisture Sensitive |
| BRN | 773860 |
| Stability: | Hygroscopic, Moisture Sensitive |
| CAS DataBase Reference | 4635-59-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoyl chloride, 4-chloro-(4635-59-0) |
| EPA Substance Registry System | Butanoyl chloride, 4-chloro- (4635-59-0) |
Safety information for 4-Chlorobutyryl chloride
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H290:Corrosive to Metals H302:Acute toxicity,oral H314:Skin corrosion/irritation H330:Acute toxicity,inhalation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Chlorobutyryl chloride
| InChIKey | CDIIZULDSLKBKV-UHFFFAOYSA-N |
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