1,4-Diethynylbenzene - CAS 935-14-8

Catalog:	BB040948
Product Name:	1,4-Diethynylbenzene
CAS:	935-14-8
Synonyms:	1,4-diethynylbenzene

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Computed Properties

IUPAC Name:	1,4-diethynylbenzene
Description:	1,4-Diethynylbenzene (CAS# 935-14-8) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C10H6
Canonical SMILES:	C#CC1=CC=C(C=C1)C#C
InChI:	InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
InChI Key:	MVLGANVFCMOJHR-UHFFFAOYSA-N
Boiling Point:	182.8 °C at 760 mmHg
Melting Point:	94-98 °C
Purity:	98.0 % (GC)
Density:	1 g/cm³
Appearance:	White or orange-brown crystalline powder
Storage:	Refrigerator (+4 °C)
MDL:	MFCD00078375
LogP:	1.64920

Publication Number	Title	Priority Date
CN-113307950-A	Fluorescent polymer for detecting trace gas-phase explosive, and preparation and application of fluorescent polymer including film	20210607
CN-113214477-A	Method for preparing polyphosphoamidine through three-component polymerization based on participation of phosphoryl azide and polyphosphoamidine	20210507
CN-113149827-A	Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide	20210419
CN-113209943-A	Cyclodextrin microporous organic net material and preparation method and application thereof	20210416
CN-113087461-A	Insulation board bonding mortar and preparation method thereof	20210324

PMID	Publication Date	Title	Journal
22708683	20120706	Base-mediated selective synthesis of diversely substituted N-heterocyclic enamines and enaminones by the hydroamination of alkynes	The Journal of organic chemistry
22568810	20120606	Thermodynamic and kinetic stabilities of complementary double helices utilizing amidinium-carboxylate salt bridges	Journal of the American Chemical Society
22545412	20120301	Synthesis of acetylene bridged germanium phthalocyanines	Natural product communications
22066942	20111228	Topological and electronic influences on magnetic exchange coupling in Fe(III) ethynylbenzene dendritic building blocks	Journal of the American Chemical Society
21958078	20111116	Simultaneous bridge-localized and mixed-valence character in diruthenium radical cations featuring diethynylaromatic bridging ligands	Journal of the American Chemical Society

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

Complexity:	163
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4