3-Chloro-2-butanone
ALDRICH/167606 - 97%
CAS Number: 4091-39-8
Empirical Formula (Hill Notation): C4H7ClO
Molecular Weight: 106.55
EC Number: 223-834-9
MDL Number: MFCD00000865
Linear Formula: CH3CHClCOCH3
Product Type: Chemical
| assay | 97% |
| bp | 114-117 °C (lit.) |
| density | 1.055 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C4H7ClO/c1-3(5)4(2)6/h |
| InChI key | OIMRLHCSLQUXLL-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(Cl)C(C)=O |
| Application: | 3-Chloro-2-butanone was used in production of chiral alcohols from acetophenone derivatives, β-ketoesters and N-Boc-3-pyrrolidinone by recombinant E. coli cells. It was used in the synthesis of carbene precursor, 3-aryl-4,5-dimethylthiazo |
| General description: | 3-Chloro-2-butanone reacts with 1,4-dianion of acetophenone N-ethoxycarbonylhydrazone to yield pyrazoline derivatives. |
| Packaging: | 5, 100 g in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H302 |
| Precautionary statements | P210 - P301 + P312 + P330 |
| Hazard Codes | Xn |
| Risk Statements | 10-22 |
| Safety Statements | 16 |
| RIDADR | UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all |
| WGK Germany | WGK 3 |
| Flash Point(F) | 82.4 °F - closed cup |
| Flash Point(C) | 28 °C - closed cup |
| Purity | 97% |
| bp | 114-117 °C (lit.) |
| Density | 1.055 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |