1,3-Dichloroacetone
ALDRICH/168548 - ≥95%
CAS Number: 534-07-6
Empirical Formula (Hill Notation): C3H4Cl2O
Molecular Weight: 126.97
EC Number: 208-585-6
MDL Number: MFCD00000937
Linear Formula: ClCH2COCH2Cl
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 168548-10G
| assay | ≥95% |
| bp | 173 °C (lit.) |
| density | 1.383 g/mL at 25 °C (lit.) |
| form | solid |
| functional group | chloro |
| ketone | |
| InChI | 1S/C3H4Cl2O/c4-1-3(6)2-5/ |
| InChI key | SUNMBRGCANLOEG-UHFFFAOYSA |
| mp | 39-41 °C (lit.) |
| Quality Level | 100  |
| SMILES string | ClCC(=O)CCl |
| solubility | alcohol: very soluble |
| diethyl ether: very soluble | |
| water: soluble | |
| storage temp. | 2-8°C |
| vapor density | 4.38 (vs air) |
| vapor pressure | <0.1 mmHg ( 20 °C) |
| Application: | 1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone. |
| General description: | 1,3-Dichloroacetone has been identified as a metabolite of 1,3-dichloropropanol by TLC. Kinetics of the reversible hydration of 1,3-dichloroacetone have been studied spectrophotometrically in solutions of water in dioxan and in acetonitrile. 1,3-dichloroacetone is a dihaloketone derivative used as a reagent in the synthesis of complex multicyclic peptides. |
| Packaging: | 10, 50 g in glass bottle |
| Symbol |    GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H300 + H310 + H330 - H314 - H341 |
| Precautionary statements | P260 - P280 - P301 + P310 + P330 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| Hazard Codes | T+ |
| Risk Statements | 24-26/28-34-68 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2649 6.1 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥95% |
| bp | 173 °C (lit.) |
| mp | 39-41 °C (lit.) |
| Density | 1.383 g/mL at 25 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |