187844

1-Bromo-3,5-dimethyladamantane

98%

• Synonym(s): 1-Bromo-3,5-dimethyltricyclo[3.3.1.1^3,7]decane
• Empirical Formula (Hill Notation): C₁₂H₁₉Br
• CAS Number: 941-37-7
• Molecular Weight: 243.18
• Beilstein/REAXYS Number: 1927514
• EC Number: 213-378-9
• MDL number: MFCD00077197
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851288
• NACRES: NA.22

Properties

• assay: 98%
• form: liquid
• refractive index: n20/D 1.52 (lit.)
• bp: 201 °C (lit.)
• density: 1.224 g/mL at 25 °C (lit.)
• SMILES string: C[C@]12CC3C[C@](C)(C1)CC(Br)(C3)C2
• InChI: 1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3/t9-,10+,11-,12-
• InChI key: QUCXLVDIVQWYJR-CDECOKDKSA-N

Description

Application

1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 228.2 °F - closed cup
• flash_point_c: 109.00 °C - closed cup
• ppe: Eyeshields, Gloves