HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Propanone, 1-(acetyloxy)-3-chloro-
3-Chloro-2-oxopropyl acetate · Chloroacetol acetate · Acetoxychloroacetone · 1-Acetoxy-3-chloroactone · 1-Acetoxy-3-chloroacetone · chlorohydroxyacetoneacetate · 1-Acetyloxy-3-chloroacetone · 1-ACETOXY-3-ACETENYL CHLORIDE
Identifiers & Physical Properties
| CAS No. | 40235-68-5 |
|---|---|
| Molecular formula | C5H7ClO3 |
| Average molar mass | 150.56 g/mol |
| Monoisotopic mass | 150.00837176 g/mol |
| SMILES | CC(=O)OCC(=O)CCl |
| InChIKey | LCMPIWIWBGHBOY-UHFFFAOYSA-N |
| PubChem CID | 38413 |
| ChEMBL | CHEMBL3276494 |
| EC No. | 672-749-7 |
| DTXSID | DTXSID1068221 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 121 |
| Boiling point | 112-114 °C(Press: 16 Torr) |
| Density | 1.28 |
| Refractive index | 1.4510-1.4540 |
| Storage conditions | Storage temp. 2-8°C |
| Physical state | clear liquid |
| Color | Light orange to Yellow to Green |
| InChIKey | LCMPIWIWBGHBOY-UHFFFAOYSA-N |
| EPA Substance Registry System | 2-Propanone, 1-(acetyloxy)-3-chloro- (40235-68-5) |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H227-H302+H312+H332-H314 |
| GHS precautionary statements | P210-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501 |
| Hazard symbols | T |
| Risk statements (R) | 23/24/25-34-36-25 |
| Safety statements (S) | 23-26-36/37/39-45 |
| UN transport number | 2922 |
| RTECS number | AF8600000 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8 |
| Packing group | II |
| Customs code | 2918300090 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH226 (85.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 2-Propanone, 1-(acetyloxy)-3-chloro- |
| Hazard Classes and Categories | Flam. Liq. 3 (85.7%) |
| TSCA inventory status | TSCA listed |
| RTECS number | AF8600000 |
| UN transport number | 2922 |
| Customs code | 2918300090 |
| Risk statements (R) | 23/24/25-34-36-25 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | T |
| Safety statements (S) | 23-26-36/37/39-45 |
| Hazard class | 8 |
| Packing group | II |
| GHS hazard statements | H227-H302+H312+H332-H314 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501 |
Applications & Uses
Uses
1-Acetoxy-3-chloropropanone is an organic intermediate.