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CAS Number: 7050-16-0
4,4',4''-(chloromethanetriyl)tris(tert-butylbenzene)

Structure

4,4',4''-(chloromethanetriyl)tris(tert-butylbenzene)
Name: 4,4',4''-(chloromethanetriyl)tris(tert-butylbenzene)
Synonyms:
General Information
Product Number: 7050160

CAS Registry Number 7050-16-0
Name:
Benzene, 1,​1',​1''-​(chloromethylidyne)​tris[4-​(1,​1-​dimethylethyl)​-
Methane, tris(p-tert-butylphenyl)chloro- (6CI,7CI,8CI)
Tris(p-tert-butylphenyl)methyl chloride

 

Chemical Formula: C31H39Cl
Exact Mass: 446.27
Molecular Weight: 447.09
m/z: 446.27 (100.0%), 447.28 (34.0%), 448.27 (32.0%), 449.27 (10.7%), 448.28 (5.6%), 450.28 (1.8%)

 

InChI:InChI=1S/C31H39Cl/c1-28(2,3)22-10-16-25(17-11-22)31(32,26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3

InChI Key:GEHKTUJXAZRMFB-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)Cl

Specification

98%

References

PCT Int. Appl. (2011), WO 2011032681 A1 20110324.

Angewandte Chemie, International Edition (2014), 53(37), 9860-9864. 

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