Bibenzyl - CAS 103-29-7

Catalog:	BB001078
Product Name:	Bibenzyl
CAS:	103-29-7
Synonyms:	2-phenylethylbenzene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-phenylethylbenzene
Description:	1,2-Diphenylethane is a kind of widely used aromatic hydrocarbon compound.
Molecular Weight:	182.26
Molecular Formula:	C14H14
Canonical SMILES:	C1=CC=C(C=C1)CCC2=CC=CC=C2
InChI:	InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:	QWUWMCYKGHVNAV-UHFFFAOYSA-N
Boiling Point:	284 ℃
Melting Point:	50-53 ℃
Flash Point:	129°C
Density:	1.014 g/cm³
Solubility:	water, 4.3 mg/L @ 25 °C (exp)
Appearance:	Solid
MDL:	MFCD00004796
LogP:	3.47180
Refractive Index:	1.573
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.

Publication Number	Title	Priority Date
CN-107473991-A	By the synthetic method of the isourea of catalysis of rare-earth compound	20170809
WO-2015199608-A1	Depolymerisation of lignin	20140627
US-2015368264-A1	Synthesis of polycyclic-carbamoylpyridone compounds	20140620
WO-2015195656-A2	Synthesis of polycyclic-carbamoylpyridone compounds	20140620
WO-2015192051-A1	Prelithiation solutions for lithium-ion batteries	20140612

PMID	Publication Date	Title	Journal
32272095	20200601	Anti-inflammation of Erianin in dextran sulphate sodium-induced ulcerative colitis mice model via collaborative regulation of TLR4 and STAT3	Chemico-biological interactions
32229109	20200525	Moscatilin, a bibenzyl derivative from the orchid Dendrobium loddigesii, induces apoptosis in melanoma cells	Chemico-biological interactions
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA
28245986	20170405	DJ-1 regulating PI3K-Nrf2 signaling plays a significant role in bibenzyl compound 20C-mediated neuroprotection against rotenone-induced oxidative insult	Toxicology letters
27180985	20160601	20C, a bibenzyl compound isolated from Gastrodia elata, protects PC12 cells against rotenone-induced apoptosis via activation of the Nrf2/ARE/HO-1 signaling pathway	Acta pharmacologica Sinica

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Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.109550447
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.109550447
Rotatable Bond Count:	3
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8