Methyl dichloroacetate
SIAL/36547 - PESTANAL®, analytical standard
Synonym: Dichloroacetic acid methyl ester; NSC 2882
CAS Number: 116-54-1
Empirical Formula (Hill Notation): C3H4Cl2O2
Molecular Weight: 142.97
EC Number: 204-146-8
MDL Number: MFCD00000843
Linear Formula: Cl2CHCOOCH3
Product Type: Chemical
| application(s) | agriculture environmental |
| bp | 143 °C (lit.) |
| density | 1.381 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C3H4Cl2O2/c1-7-3(6)2(4 |
| InChI key | HKMLRUAPIDAGIE-UHFFFAOYSA |
| mp | −52 °C (lit.) |
| product line | PESTANAL® |
| Quality Level | 100  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | COC(=O)C(Cl)Cl |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| Application: | Reactant involved in: • Nucleophilic substitution reactions with nitro(pentafluorosulfanyl • Azide-alkyl halide cycloaddition and atom transfer radical addition • Chemical modification of STn antigen for enhancement of synthetic carbohydrate vaccines • Three component reaction of arynes with cyclic ethers and active methines • Catalytic radical haloalkylation for synthesis of neodysidenin • Addition reactions for syntehsis of enantiopure 3,4-diamino esters or amides |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Legal Information: | PESTANAL is a registered trademark of Sigma-Aldrich International GmbH |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H332 - H335 |
| Precautionary statements | P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 20-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 2299 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 147.2 °F - closed cup |
| Flash Point(C) | 64 °C - closed cup |
| bp | 143 °C (lit.) |
| mp | −52 °C (lit.) |
| Density | 1.381 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |