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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Related Compounds
ReferenceSame Category
4-Fluorophenylacetylene
CAS766-98-3
research compound
ReferenceSame Category
2-Ethoxy-3-iodopyridine
CAS766557-60-2
research compound
ReferenceSame Category
2-Ethynylanisole
CAS767-91-9
research compound
ReferenceSame Category
1-(3-Bromophenyl)-9H-pyrido[3,4-b]indole
CAS767354-20-1
research compound
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
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