C9H8
116.16 g/mol
Research ReagentDanger
P-Ethynyltoluene
CAS766-97-2
Category
Research Reagent
Compound Class
Aromatic
Primary Use
Research Compound
p-Ethynyltoluene is a research compound featuring an aromatic ring substituted with a methyl group and an ethynyl group. It is utilized in crystal engineering studies, particularly for investigating supramolecular synthons based on C–H⋯O interactions.
research compoundbuilding block for crystal engineeringprobe for supramolecular synthon studies
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 766-97-2
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Safety Reference
Danger
H226Flammable liquid and vapour
H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
Identifiers
IUPAC Name
1-ethynyl-4-methylbenzene
InChIKey
KSZVOXHGCKKOLL-UHFFFAOYSA-N
SMILES
CC1=CC=C(C=C1)C#C
Synonyms (16)
- (p-Methylphenyl)ethyne
- 1-Ethynyl-4-methylbenzene
- 4-Ethynyltoluene
- 4-Methylphenylacetylene
- 4-ethynyl-1-methylbenzene
- 4-methylphenylethyne
- 4-tolylacetylene
- Benzene, 1-ethynyl-4-methyl-
- TOLUENE, p-ETHYNYL-
- p-Ethynyltoluene
- p-Methylphenylacetylene
- p-Tolylacetylene
- p-toluylacetylene
- pENT cpd