Diphenylmethane - CAS 101-81-5

Technical Data

IUPAC Name:	benzylbenzene
Description:	Diphenylmethane, a kind of aromatic hydrocarbon compound, could probably be used as a reagent for synthesis.
Molecular Weight:	168.23
Molecular Formula:	C13H12
Canonical SMILES:	C1=CC=C(C=C1)CC2=CC=CC=C2
InChI:	InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:	CZZYITDELCSZES-UHFFFAOYSA-N
Boiling Point:	265 °C
Melting Point:	22-24 °C
Flash Point:	130 °C
Purity:	Purity >98%
Density:	1.0 g/cm³
Solubility:	water, 14.1 mg/L @ 25 °C (exp)
Appearance:	Liquid
Storage:	Sealed in dry, Room Temperature
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00004781
LogP:	3.27740
Refractive Index:	1.576-1.578
Vapor Pressure:	0.00821 [mmHg]

GHS Hazard Statement:	H400 (95.57%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113501812-A	Triarylamine compound and organic electroluminescent device thereof	20210812
CN-113013412-A	Negative electrode slurry, negative electrode sheet and lithium ion battery	20210225
CN-112961183-A	C3-phosphono substituted benzohydrofurans and benzofuran compounds and processes for their preparation	20210208
JP-2021073355-A	Method for Producing Terminal Vinyl Group-Containing Propylene Polymer	20210203
JP-2021073356-A	Method for Producing Terminal Vinyl Group-Containing Propylene Polymer	20210203

PMID	Publication Date	Title	Journal
23768907	20130715	Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERα-selective antagonist	Bioorganic & medicinal chemistry letters
23075119	20121102	One-pot synthesis of 1-iodoalkynes and trisubstituted alkenes from benzylic and allylic bromides	Organic letters
22085357	20121101	One new diphenylmethane glycoside from the leaves of Psidium guajava L	Natural product research
22930203	20121021	Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group	Dalton transactions (Cambridge, England : 2003)
22743058	20120901	Heat shock cognate 70 regulates the translocation and angiogenic function of nucleolin	Arteriosclerosis, thrombosis, and vascular biology

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.093900383
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.093900383
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1