549762

Ethyl 6,8-dichlorooctanoate

95%

• Fórmula lineal: CH₃CH₂OCO(CH₂)₄CH(Cl)(CH₂)₂Cl
• Número de CAS: 1070-64-0
• Peso molecular: 241.15
• EC Number: 435-080-1
• MDL number: MFCD01711127
• UNSPSC Code: 12352100
• PubChem Substance ID: 24874721

Propiedades

• assay: 95%
• refractive index: n20/D 1.462 (lit.)
• density: 1.107 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CCCCC(Cl)CCCl
• InChI: 1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
• InChI key: RFYDWSNYTVVKBR-UHFFFAOYSA-N

Descripción

Application

Ethyl 6,8-dichlorooctanoate may be used as a starting material in the synthesis of 6-selenolipoic acid and α-lipoic acid derivatives, which show potent anticancer activity.
It may also be used as a starting material to synthesize:

• 6,8-Dibenzylmercaptooctanoic acid, an intermediate for the preparation of DL-α-lipoic acid.
• Ethyl 5,7-dichloroheptanoate, an intermediate for the preparation of DL-1,2-dithiolane-3-butyric acid.
• 7-Bromo-1,3-dichloroheptane, an intermediate for the preparation of DL-12-dithiolane-3-butanesulfonamide.

Información de seguridad

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H317,H411
• pcodes: P273 - P280 - P302 + P352
• Hazard Classifications: Aquatic Chronic 2 - Skin Sens. 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter