IUPAC Name: | 4-bromo-1,1,1-trimethoxybutane |
Description: | Trimethyl 4-bromoorthobutyrate (CAS# 55444-67-2) is used in the synthesis of an intermediate of hydrophilic chemiluminescent acridinium esters containing N-sulfopropyl groups which are extremely useful labels in the clinical diagnostics industry especially in automated immunochemical analyzers such as Siemens Healthcare Diagnostics' ADVIA Centaur systems. |
Molecular Weight: | 227.10 |
Molecular Formula: | C7H15BrO3 |
Canonical SMILES: | COC(CCCBr)(OC)OC |
InChI: | InChI=1S/C7H15BrO3/c1-9-7(10-2,11-3)5-4-6-8/h4-6H2,1-3H3 |
InChI Key: | QBLJMYITBNHQOT-UHFFFAOYSA-N |
Boiling Point: | 70 °C / 0.7 mmHg (lit.) |
Density: | 1.309 g/mL at 25°C(lit.) |
MDL: | MFCD00075197 |
LogP: | 1.75450 |
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