Methyl dichloroacetate
ALDRICH/35840 - ≥99%
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
| assay | ≥99% |
| bp | 143 °C (lit.) |
| density | 1.381 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | chloro |
| ester | |
| InChI | 1S/C3H4Cl2O2/c1-7-3(6)2(4 |
| InChI key | HKMLRUAPIDAGIE-UHFFFAOYSA |
| mp | −52 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | COC(=O)C(Cl)Cl |
| Application: | Methyl dichloroacetate may be used: • in the diastereoselctive synthesis of bicyclic chlorocyclopropane • as difunctional initiator during atom transfer radical polymerization of methyl or n-butyl acrylate • as reagent during CrCl2-induced olefination of aldehydes |
| 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 |
| General description: | Methyl dichloroacetate undergoes base-catalyzed condensation with aliphatic α-haloaldehydes. Chlorination of methyl dichloroacetate by using trifluoromethanesulfonyl chloride has been reported. |
| Packaging: | 500 mL in glass bottle |
| 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 |
| Purity | ≥99% |
| bp | 143 °C (lit.) |
| mp | −52 °C (lit.) |
| Density | 1.381 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |