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1-Ethynyl-4-phenoxybenzene

1-Ethynyl-4-phenoxybenzene - CAS 4200-06-0

Catalog:	BB025007
Product Name:	1-Ethynyl-4-phenoxybenzene
CAS:	4200-06-0
Synonyms:	1-ethynyl-4-phenoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-ethynyl-4-phenoxybenzene
Description:	1-Ethynyl-4-phenoxybenzene can be used for Sonogashira coupling reactions.
Molecular Weight:	194.23
Molecular Formula:	C14H10O
Canonical SMILES:	C#CC1=CC=C(C=C1)OC2=CC=CC=C2
InChI:	InChI=1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChI Key:	LKMNQDOAPYPSNH-UHFFFAOYSA-N
Boiling Point:	285.1 °C at 760 mmHg
Purity:	98 %
Density:	1.074 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03839992
LogP:	3.46020

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
WO-2020102892-A1	3'-unsaturated abscisic acid derivatives as aba antagonists	20181119
EP-3883915-A1	3'-unsaturated abscisic acid derivatives as aba antagonists	20181119
KR-20200021788-A	Polymer, organic layer composition and method of forming patterns	20180821
TW-202009245-A	Polymer, organic layer composition and method of forming patterns	20180821

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501
Signal Word:	Danger

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.073164938
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.073164938
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7