IUPAC Name: | hexyl carbonochloridate |
Description: | Hexyl chloroformate (CAS# 6092-54-2) is used as a derivatizing agent in organic synthesis, and is also used as a reagent to synthesize Dabigatran (D100090), an oral thrombin inhibitor used to prevent venous thromboembolism. |
Molecular Weight: | 164.63 |
Molecular Formula: | C7H13ClO2 |
Canonical SMILES: | CCCCCCOC(=O)Cl |
InChI: | InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3 |
InChI Key: | KIWBRXCOTCXSSZ-UHFFFAOYSA-N |
Boiling Point: | 60 °C (7 torr) |
Density: | 1.01 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00000651 |
LogP: | 2.94210 |
Vapor Pressure: | 3.1 [mmHg] |
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Related Functional Groups
Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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