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1,3,5-Tris(4-bromophenyl)benzene CAS#: 7511-49-1
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1,3,5-Tris(4-bromophenyl)benzeneIUPAC Name1,3,5-tris(4-bromophenyl)benzene  Molecular StructureCAS Registry Number 7511-49-1MDL NumberMFCD00362911Beilstein Registry NumberSynonyms1,3,5-Tris(4-bromophenyl)benzene7511-49-14,4''-Dibromo-5'-(4-bromophenyl)-1,1':3',1''-terphenylMFCD003629111,3,5-Tris(4-bromophenyl)benzene, 97%1,1':3',1''-Terphenyl, 4,4''-dibromo-5'-(4-bromophenyl)-NSC30660YSZC302SCHEMBL920518DTXSID802832531,3,5-tris(p-bromophenyl)benzeneBCP10907ZINC1661223BBL102452NSC-30660STL556254Methanone, cyclobutyl-1-pyrrolidinyl-AKOS004904482CS-W004614AS-19358SY029543FT-0704714T2644F18797511T491A847512Molecular FormulaC24H15Br3Molecular Weight543.088InChIInChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H  InChI KeyHJQRITCAXSBOPC-UHFFFAOYSA-N  Canonical SMILESC1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br  

Physical Data

AppearanceLight yellow crystal powder

Melting Point, °C Solvent (Melting Point) 265 - 266ethyl acetate255 - 256ethanol161 - 162hexane, ethyl acetate260 - 262benzene, petroleum ether

Density, g·cm-3Measurement Temperature, °C19.84-158.16

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum13Cchloroform-d1100Chemical shifts, Spectrum1Hchloroform-d1500

Description (IR Spectroscopy)Solvent (IR Spectroscopy)Intensity of IR bands, Bandspotassium bromideBands, Spectrum

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmSpectrumethyl acetate263Spectrumhexane206, 260

Route of Synthesis (ROS)

Route of Synthesis (ROS) of135-tris4-bromophenylbenzene-cas-7511-49-1-2

ConditionsYieldWith tris(hydrogensulfato)boron In neat liquid at 100℃; for 5h; Green chemistry;93%With Wells-Dawson heteropoly acid H6P2W18O62 immobilized on Nanoclinoptilolite In neat (no solvent) at 100℃; for 2.5h; Green chemistry;91%With nano-silica sulfuric acid In neat (no solvent) at 90℃; for 0.416667h; Microwave irradiation;87%

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH318 (100%): Causes serious eye damage H413 (100%): May cause long lasting harmful effects to aquatic life Precautionary Statement CodesP264+P265, P273, P280, P305+P354+P338, P317, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationStore at room temperature, sealed and away from light.HS CodeNo available dataStorageStore at room temperature, sealed and away from light.Shelf Life2 years

DruglikenessLipinski rules componentMolecular Weight543.095logP10.236HBA0HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)0Rotatable Bond (RotB)3Matching Veber Rules2

Use Pattern1,3,5-Tris(4-bromophenyl)benzene CAS#: 7511-49-1 used in the laboratory research and development process and in the chemical and pharmaceutical synthesis process.
https://www.chemwhat.com/135-tris4-bromophenylbenzene-cas-7511-49-1-2/

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