Dimethyl chloromalonate
ALDRICH/374539 - 94%
Synonym: 1,3-Dimethyl 2-
CAS Number: 28868-76-0
Empirical Formula (Hill Notation): C5H7ClO4
Molecular Weight: 166.56
EC Number: 249-275-0
MDL Number: MFCD00042837
Linear Formula: ClCH(COOCH3)2
Product Type: Chemical
| assay | 94% |
| bp | 105-106 °C/19 mmHg (lit.) |
| density | 1.305 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | 4-5% dimethyl dichloromalonate |
| InChI | 1S/C5H7ClO4/c1-9-4(7)3(6) |
| InChI key | LNBQBURECUEBKZ-UHFFFAOYSA |
| refractive index | n |
| SMILES string | COC(=O)C(Cl)C(=O)OC |
| Application: | Dimethyl chloromalonate is suitable for use in the synthesis of 4,5,6-trichloropyrimidine |
| General description: | Dimethyl chloromalonate (dimethyl 2-chloromalonate) is a dialkyl 2-substituted malonate. Carbanions of dimethyl chloromalonate are reported to react with naphthoquinone derivatives, via vicarious nucleophilic substitution or oxidative nucleophilic substitution of hydrogen processes. Dimethyl chloromalonate is reported to react with hydroquinone and monosubstituted hydroquinones to afford 2-oxido-benzo[b]furan derivatives. Synthesis of dimethyl 2-chloromalonate, via chlorination of dimethyl malonate has been reported. |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 224.6 °F - closed cup |
| Flash Point(C) | 107 °C - closed cup |
| Purity | 94% |
| bp | 105-106 °C/19 mmHg (lit.) |
| Density | 1.305 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |