1,3,5-Triethynylbenzene

Product Information

Molecular Formula:
C12H6
Molecular Weight:
150.18
Description
1,3,5-Triethynylbenzene (CAS# 7567-63-7) is a useful research chemical.
Synonyms
1,3,5-triethynylbenzene
IUPAC Name
1,3,5-triethynylbenzene
Canonical SMILES
C#CC1=CC(=CC(=C1)C#C)C#C
InChI
InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H
InChI Key
ZDRMMTYSQSIGRY-UHFFFAOYSA-N
Boiling Point
272.3±35.0 ℃ (Predicted)
Melting Point
105 ℃
Purity
> 98.0 % (GC)
Density
1.05±0.1 g/cm3(Predicted)
Appearance
White to almost white powder to crystal
Storage
Store under inert gas
LogP
1.63050

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338
Signal Word
Warning

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
150.0469501914 g/mol
Monoisotopic Mass
150.0469501914 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
230
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113845539-A Silicon-containing aryne-based compound, preparation and curing method thereof and silicon-containing aryne resin 2021-10-14
CN-113698579-A Porphyrin type conjugated microporous polymer and synthesis method and application thereof 2021-07-23
CN-113394511-A Preparation method of conjugated microporous polymer modified diaphragm for lithium-sulfur battery 2021-06-11
CN-113321787-A Nitroxide free radical functionalized porous organic polymer nanotube and preparation method and application thereof 2021-06-02
CN-112724373-A Functional organic porous polymer and preparation method and application thereof 2020-12-10
CN-112724373-B Functional organic porous polymer and preparation method and application thereof 2020-12-10
CN-112645403-A Underground water heavy metal treatment system and method based on porous polymer 2020-10-14
CN-112108021-A Preparation method of fluorine-containing alkyl conjugated microporous polymer mixed matrix membrane 2020-09-19
CN-112159515-A Based on SiO2Method for preparing TEMPO free radical functionalized hollow conjugated microporous polymer by using template and application 2020-09-10
WO-2022047268-A1 Deposition of films onto battery material powders 2020-08-29

Literatures

PMID Publication Date Title Journal
22066942 2011-12-28 Topological and electronic influences on magnetic exchange coupling in Fe(III) ethynylbenzene dendritic building blocks Journal of the American Chemical Society
21836854 2011-07-01 Crystallographic coincidence of two bridging species in a dinuclear Co ethynyl-benzene complex Acta crystallographica. Section E, Structure reports online
21275020 2011-02-07 The role of the ethynyl substituent on the π-π stacking affinity of benzene: a theoretical study Chemphyschem : a European journal of chemical physics and physical chemistry
19757849 2009-09-24 Counterintuitive substituent effect of the ethynyl group in ion-pi interactions The journal of physical chemistry. A
18188476 2008-01-28 Conjugated microporous poly(phenylene butadiynylene)s Chemical communications (Cambridge, England)
16594650 2006-04-12 Rigid molecular architectures that comprise a 1,3,5-trisubstituted benzene core and three oligoaryleneethynylene arms: light-emitting characteristics and pi conjugation between the arms Journal of the American Chemical Society
15540268 2004-12-03 Convergent synthesis of platinum-acetylide dendrimers Chemistry (Weinheim an der Bergstrasse, Germany)
15049615 2004-04-02 Synthesis of linear and tripoidal oligo(phenylene ethynylene)-based building blocks for application in modular DNA-programmed assembly The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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