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
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 °C (Predicted)
Melting Point
105 °C
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 |
