1-Phenyl-1-butyne (C10H10)

1-Phenyl-1-butyne presents a C10 framework, aromatic rings, unsaturation (formula C10H10, CAS 622-76-4). ChemicalHelper Reaction can propose ranked disconnections for 1-Phenyl-1-butyne from the SMILES CCC#Cc1ccccc1.

Target: 1-Phenyl-1-butyne
CAS: 622-76-4
Formula: C10H10
Approx. MW: 130.19
SMILES: CCC#Cc1ccccc1
PubChem CID: 69328
Approx. carbons: C10

1-Phenyl-1-butyne structure

Properties

IUPAC name: but-1-ynylbenzene
Common names: 1-Phenyl-1-butyne; 622-76-4; 1-Butynylbenzene; Benzene, 1-butynyl-; 1-Butyne, 1-phenyl-; 1-Ethyl-2-phenylacetylene; EINECS 210-752-3; Ethylphenylacetylene; Phenylethylacetylene; DTXSID30211243
Molecular weight: 130.19
Exact mass: 130.08
InChIKey: FFFMSANAQQVUJA-UHFFFAOYSA-N

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1-Phenyl-1-butyne 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Phenyl-1-butyne?

1-Phenyl-1-butyne has molecular formula C10H10. Molecular weight about 130.19 g·mol⁻¹.

What is the CAS number of 1-Phenyl-1-butyne?

The CAS Registry Number for 1-Phenyl-1-butyne is 622-76-4.

Run AI retrosynthesis for 1-Phenyl-1-butyne Target catalog AI tools overview

Open the planner with 1-Phenyl-1-butyne preloaded, then keep routes that match CAS 622-76-4.

Related targets

Similar compounds

4-Phenyl-1-butyne 1-Allyloxy-4-Methoxybenzene 2-Phenyl-3-butyn-2-ol 4-Phenylbut-3-yn-1-ol Estragole eugenol

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.