(3-Bromophenyl)triphenylsilane
Properties
- Molecular formula
- C24H19BrSi
- Molar mass
- 415.41 g/mol
- Exact mass
- 414.0439 Da
- logP
- 3.83Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
185626-73-7SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=CC=C4)BrInChIKey
WTYKIOBQNRWDQP-UHFFFAOYSA-NInChI
InChI=1S/C24H19BrSi/c25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19HCharacterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.76 (t, J = 1.6 Hz, 1H), 7.58 (dd, J = 7.7, 1.6 Hz, 6H), 7.54 (m, J = 7.7, 1.6 Hz, 1H), 7.52 (m, J = 7.7, 1.6 Hz, 1H), 7.34 (m, J = 7.7, 1.6 Hz, 3H), 7.34 (m, J = 7.7 Hz, 6H), 7.26 (t, J = 7.7 Hz, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 142.2, 140.0, 136.7, 133.3, 132.3, 132.2, 129.9, 128.8, 127.7, 122.3.[M + H]+
[M + H]+ Calcd for C24H20BrSi 415.0512[M + Na]+
[M + Na]+ Calcd for C24H19BrNaSi 437.0332[M − H]−
[M − H]− Calcd for C24H18BrSi 413.0367Elemental analysis
Anal. Calcd for C24H19BrSi: C, 69.39; H, 4.61.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (3-Bromophenyl)triphenylsilane
Similar compounds
Bis(4-bromophenyl)-diphenyl-silane18733-91-064 % similar
1,1′,1′′,1′′′-Silanetetrayltetrakis[benzene]1048-08-455 % similar
1,3-Dibromobenzene108-36-152 % similar
3-Bromobiphenyl2113-57-752 % similar
1-Bromo-3-(4-phenylphenyl)benzene1762-87-450 % similar
Bromobenzene108-86-148 % similar
1-Bromo-3-(trifluoromethyl)benzene401-78-547 % similar
3-Bromotoluene591-17-346 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.