1,3,5-Triethynylbenzene

C₁₂H₆CAS 7567-63-7150.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆
Molar mass: 150.18 g/mol
Exact mass: 150.0470 Da
logP: 1.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7567-63-7

SMILES

C#CC1=CC(=CC(=C1)C#C)C#C

InChIKey

ZDRMMTYSQSIGRY-UHFFFAOYSA-N

InChI

InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H

Weigh it out

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Names and synonyms

1 names

Benzene, 1,3,5-triethynyl-

Work with 1,3,5-Triethynylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethynylbenzene1785-61-165 % similar 1,4-Diethynylbenzene935-14-860 % similar 5-Ethynyl-1,2,3-trifluorobenzene158816-55-852 % similar 1-Ethynyl-3 5-dimethoxybenzene 98171290-52-150 % similar Phenylacetylene536-74-350 % similar 1-Ethynyl-3,5-bis(trifluoromethyl)benzene88444-81-950 % similar 4-Ethynylpyridine2510-22-745 % similar 3,4-Difluorophenylacetylene143874-13-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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