HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-2-butanone
4-chlorobutan-2-one · 1-CHLORO-3-BUTANONE · 2-Chloroethylmethylketone · Einecs 228-680-6 · TIMTEC-BB SBB007824 · 4-Chloro-2-butanone · 2-Butanone, 4-chloro- · 4-Chloro-2-butanone, Pract.
Identifiers & Physical Properties
| CAS No. | 6322-49-2 |
|---|---|
| Molecular formula | C4H7ClO |
| Average molar mass | 106.55 g/mol |
| Monoisotopic mass | 106.01854252 g/mol |
| SMILES | CC(=O)CCCl |
| InChIKey | MAGOYBJJLVSJIC-UHFFFAOYSA-N |
| PubChem CID | 80608 |
| EC No. | 228-680-6 |
| DTXSID | DTXSID00212585 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 51.5 |
| SpringerMaterials Properties | Optical coefficient |
| Boiling point | 146℃ |
| Density | 1.033 |
| Refractive index | 1.4299-1.4334 |
| Flash point | 45℃ |
| Storage conditions | Inert atmosphere,Store in freezer, under -20°C |
| Solubility | Chloroform, Ethyl Acetate (Slightly) |
| Physical state | Oil |
| Color | Black |
| InChI | InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3 |
| InChIKey | MAGOYBJJLVSJIC-UHFFFAOYSA-N |
| SMILES | CC(=O)CCCl |
| LogP (partition coefficient) | 0.666 (est) |
| FDA UNII | 224CY68X2V |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H312+H332-H315-H319 |
| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 2-Butanone, 4-chloro- |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302+H312+H332-H315-H319 |
| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312 |
Applications & Uses
Uses
4-Chloro-2-butanone acts as a reagent for the preparation of pyrrolopyrazine derivatives as selective spleen tyrosine kinase inhibitors.