Biphenyl-4,4'-dicarbaldehyde - CAS 66-98-8

Catalog:	BB033154
Product Name:	Biphenyl-4,4'-dicarbaldehyde
CAS:	66-98-8
Synonyms:	4-(4-formylphenyl)benzaldehyde; 4-(4-formylphenyl)benzaldehyde

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Computed Properties

IUPAC Name:	4-(4-formylphenyl)benzaldehyde
Description:	Biphenyl-4,4'-dicarbaldehyde (CAS# 66-98-8) is a useful research chemical compound.
Molecular Weight:	210.23
Molecular Formula:	C14H10O2
Canonical SMILES:	C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O
InChI:	InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H
InChI Key:	FEHLIYXNTWAEBQ-UHFFFAOYSA-N
Boiling Point:	140-141 °C (0.4-0.5 torr)
Density:	1.18 g/cm³
MDL:	MFCD00016714
LogP:	2.97860

Publication Number	Title	Priority Date
CN-113201148-A	Spiral infinite ordered growth COFs material and preparation method and application thereof	20210611
CN-113023686-A	N-doped porous carbon loaded ZnSe electrode material applied to sodium-ion battery	20210301
CN-113004532-A	Metamaterial based on covalent organic framework and application of metamaterial in optical device	20210222
CN-112705179-A	Hierarchical different-pore covalent organic framework material and preparation method and application thereof	20201216
CN-112573612-A	Method for simultaneously adsorbing Sudan red I-IV by using imine covalent organic framework and application	20201130

PMID	Publication Date	Title	Journal
21191755	20101201	Synthesis and characterization of novel unnatural bichalcones	Archives of pharmacal research
16838937	20051110	Selective oxygenation of 4,4'-dimethylbiphenyl with molecular oxygen, catalyzed by 9-phenyl-10-methylacridinium ion via photoinduced electron transfer	The journal of physical chemistry. A

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.068079557
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3