Hexachloro-2-propanone
ALDRICH/10894 - produced by Wacker Chemie AG, Burghausen, Germany, ≥99.0% (GC)
Synonym: HCA; Hexachloroacetone
CAS Number: 116-16-5
Empirical Formula (Hill Notation): C3Cl6O
Molecular Weight: 264.75
EC Number: 204-129-5
MDL Number: MFCD00000796
Linear Formula: CCl3COCCl3
Product Type: Chemical
| application(s) | agriculture environmental |
| assay | ≥99.0% (GC) |
| bp | 66-70 °C/6 mmHg (lit.) |
| density | 1.743 g/mL at 25 °C (lit.) |
| functional group | chloro |
| ketone | |
| grade | produced by Wacker Chemie AG, Burghausen, Germany |
| InChI | 1S/C3Cl6O/c4-2(5,6)1(10)3 |
| InChI key | DOJXGHGHTWFZHK-UHFFFAOYSA |
| mp | −6-−2 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | ClC(Cl)(Cl)C(=O)C(Cl)(Cl) |
| Application: | Hexachloro-2-propanone (hexachloroacetone) was used in the synthesis of chirally deuterated benzyl chlorides and enol phosphate 2,2-dichloro-1-(trichloro |
| General description: | Hexachloro-2-propanone is a colorless liquid. It is present in herbicide Bromacil formulation. Hexachloro-2-propanone is precursor for the generation and cycloaddition of oxyallyl intermediates. It reverts the Ames strains TA98 and TA100 but not the non-plasmid strains TA1537, TA1535 and TA1538. |
| Other Notes: | prices for bulk quantities on request |
| Packaging: | 1 kg in glass bottle |
| Symbol |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H302 - H317 - H331 - H411 |
| Precautionary statements | P273 - P280 - P301 + P312 + P330 - P302 + P352 - P304 + P340 + P311 |
| Hazard Codes | Xn,N |
| Risk Statements | 20/22-43-51/53 |
| Safety Statements | 24/25-61 |
| RIDADR | UN 2661 6.1 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 66-70 °C/6 mmHg (lit.) |
| mp | −6-−2 °C (lit.) |
| Density | 1.743 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |