1,1,3-Trichloroacetone
ALDRICH/10879 - produced by Wacker Chemie AG, Burghausen, Germany, ≥86.5% (GC)
Synonym: TCA; 1,1,3-
CAS Number: 921-03-9
Empirical Formula (Hill Notation): C3H3Cl3O
Molecular Weight: 161.41
MDL Number: MFCD00040500
Linear Formula: (Cl)2CHCOCH2Cl
Product Type: Chemical
| assay | ≥86.5% (GC) |
| bp | 88-90 °C/76 mmHg (lit.) |
| density | 1.512 g/mL at 20 °C (lit.) |
| functional group | chloro |
| ketone | |
| grade | produced by Wacker Chemie AG, Burghausen, Germany |
| InChI | 1S/C3H3Cl3O/c4-1-2(7)3(5) |
| InChI key | ZWILTCXCTVMANU-UHFFFAOYSA |
| mp | 9-11 °C (lit.) |
| Quality Level | 100  |
| SMILES string | ClCC(=O)C(Cl)Cl |
| Application: | 1,1,3-Trichloroacetone was used in base-induced solvolyses of [3.2.1]Bicyclic α,α′-dichloro ketones. |
| General description: | 1,1,3-Trichloroacetone is direct-acting mutagens in the Ames/Salmonella assay. It is precursor for the generation of 1,3-dihalo oxyallyl intermediates, which undergo [4 + 3] cycloadditions with a host of 1,3-diene systems. |
| Other Notes: | prices for bulk quantities on request |
| Packaging: | 1 kg in glass bottle |
| Symbol |    GHS05,GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301 + H311 - H314 - H330 - H410 |
| Precautionary statements | P273 - P280 - P301 + P310 + P330 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 + P310 |
| Hazard Codes | T+,N |
| Risk Statements | 25-26-34-50/53 |
| Safety Statements | 26-28-36/37/39-45-61 |
| RIDADR | UN 3390 8(6.1) / PGI |
| WGK Germany | WGK 3 |
| Flash Point(F) | 174.2 °F - closed cup |
| Flash Point(C) | 79 °C - closed cup |
| Purity | ≥86.5% (GC) |
| bp | 88-90 °C/76 mmHg (lit.) |
| mp | 9-11 °C (lit.) |
| Density | 1.512 g/mL at 20 °C (lit.) |
| UNSPSC | 12352100 |