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Home Other Building Blocks 1,3,5-Triethynylbenzene

1,3,5-Triethynylbenzene

CAS No.:
7567-63-7
Catalog Number:
AG0032L4
Molecular Formula:
C12H6
Molecular Weight:
150.1760
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$75
- +
250mg
95%
In Stock USA
United States
$125
- +
1g
98%(GC)
In Stock USA
United States
$230
- +
5g
98%(GC)
In Stock USA
United States
$758
- +
Product Description
Catalog Number:
AG0032L4
Chemical Name:
1,3,5-Triethynylbenzene
CAS Number:
7567-63-7
Molecular Formula:
C12H6
Molecular Weight:
150.1760
MDL Number:
MFCD00068621
IUPAC Name:
1,3,5-triethynylbenzene
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
SMILES:
C#Cc1cc(C#C)cc(c1)C#C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.18g/mol
Monoisotopic Mass:
150.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Topological and electronic influences on magnetic exchange coupling in Fe(III) ethynylbenzene dendritic building blocks. Journal of the American Chemical Society 20111228
Crystallographic coincidence of two bridging species in a dinuclear Co ethynyl-benzene complex. Acta crystallographica. Section E, Structure reports online 20110701
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 20110207
Counterintuitive substituent effect of the ethynyl group in ion-pi interactions. The journal of physical chemistry. A 20090924
Conjugated microporous poly(phenylene butadiynylene)s. Chemical communications (Cambridge, England) 20080128
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 20060412
Convergent synthesis of platinum-acetylide dendrimers. Chemistry (Weinheim an der Bergstrasse, Germany) 20041203
Synthesis of linear and tripoidal oligo(phenylene ethynylene)-based building blocks for application in modular DNA-programmed assembly. The Journal of organic chemistry 20040402
Properties