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CAS Number: 130525-43-8
4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene

Structure

4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene
Name: 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene
Synonyms:
General Information
Product Number: 130525438

CAS Registry Number 130525-43-8
Name:
9H-​Xanthene, 4,​5-​dibromo-​2,​7-​bis(1,​1-​dimethylethyl)​-​9,​9-​dimethyl-
4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene

 

Chemical Formula: C23H28Br2O
Exact Mass: 478.05
Molecular Weight: 480.28
m/z: 480.05 (100.0%), 478.05 (51.3%), 482.05 (48.8%), 481.05 (25.2%), 479.05 (12.8%), 483.05 (12.3%), 482.06 (3.1%), 480.06 (1.6%), 484.05 (1.5%)

 

InChI:InChI=1S/C23H28Br2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,1-8H3

InChI Key:OJJSJAIHWCFVBK-UHFFFAOYSA-N

Canonical SMILES:CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)Br)Br)C(C)(C)C)C

 

Thermal Properties Value Condition Note
Melting Point 259-260 °C   (3)IC

Specification

98%

References
  1. (3) Nowick, James S.; Journal of the American Chemical Society 1990, V112(24), P8902-6 CAPLUS
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