1,3-Diethynylbenzene - CAS 1785-61-1

Catalog:	BB013489
Product Name:	1,3-Diethynylbenzene
CAS:	1785-61-1
Synonyms:	1,3-diethynylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-diethynylbenzene
Description:	1,3-Diethynylbenzene (CAS# 1785-61-1) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C10H6
Canonical SMILES:	C#CC1=CC(=CC=C1)C#C
InChI:	InChI=1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H
InChI Key:	PNXLPYYXCOXPBM-UHFFFAOYSA-N
Boiling Point:	206.9 °C at 760 mmHg
Purity:	97 %
Density:	1 g/cm³
Appearance:	Liquid
MDL:	MFCD00041686
LogP:	1.64920

Publication Number	Title	Priority Date
CN-113336951-A	Borosilicate-acetylene hybrid copolymer resin, cured product, and preparation method and application thereof	20210603
CN-112250871-A	Preparation method of alkynyl polyether modified organic silicon surfactant	20201026
CN-112250872-A	Method for preparing alkynyl polyether modified organic silicon surfactant by adopting copper carbene catalyst	20201026
CN-112280029-A	Preparation method of alkynyl polyether	20201026
CN-111548497-A	Silyne hybrid resin, cured product, ceramic material, composite material and preparation method	20200529

PMID	Publication Date	Title	Journal
22066942	20111228	Topological and electronic influences on magnetic exchange coupling in Fe(III) ethynylbenzene dendritic building blocks	Journal of the American Chemical Society
20976318	20101221	A hetero-stranded double helix composed of m-diethynylbenzene-based complementary molecular strands stabilized by amidinium-carboxylate salt bridges	Chemical communications (Cambridge, England)
17046267	20070101	A two stage click-based library of protein tyrosine phosphatase inhibitors	Bioorganic & medicinal chemistry
11996576	20020515	m-Diethynylbenzene macrocycles: syntheses and self-association behavior in solution	Journal of the American Chemical Society

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.0469501914
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.0469501914
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8