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1,3,5-Tris(2-methylphenyl)benzene

1,3,5-Tris(2-methylphenyl)benzene - CAS 87226-88-8

Catalog:	BB038343
Product Name:	1,3,5-Tris(2-methylphenyl)benzene
CAS:	87226-88-8
Synonyms:	1,3,5-tris(2-methylphenyl)benzene

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Computed Properties

IUPAC Name:	1,3,5-tris(2-methylphenyl)benzene
Description:	1,3,5-Tris(2-methylphenyl)benzene (CAS# 87226-88-8 ) is a useful research chemical.
Molecular Weight:	348.48
Molecular Formula:	C27H24
Canonical SMILES:	CC1=CC=CC=C1C2=CC(=CC(=C2)C3=CC=CC=C3C)C4=CC=CC=C4C
InChI:	InChI=1S/C27H24/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3/h4-18H,1-3H3
InChI Key:	SRJLTGIQCDVQIA-UHFFFAOYSA-N
LogP:	7.61280

Publication Number	Title	Priority Date
KR-102245897-B1	Selective oxygen permeable porous polymers functionalized grid-aligned monomer embedded nanomembranes and their fabrication method	20200213
US-2021111345-A1	Metal complexes	20180319
US-2021175441-A1	Metal complexes	20171213
US-2020207794-A1	Metal complexes	20170725
US-2020083463-A1	Metal complexes	20170329

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	348.187800766
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	348.187800766
Rotatable Bond Count:	3
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.9