4-Phenyl-1-butyne

• CAS: 16520-62-0
• Catalog Number: ACM16520620
• Category: Alkynes
• Molecular Weight: 130.19
• Molecular Formula: C₁₀H₁₀O
• Synonyms: 3-Butynylbenzene, 4-Phenyl-1-butyne, Benzene, 3-butynyl-, but-3-yn-1-ylbenzene, 632058_ALDRICH, CCRIS 7100, SBB015099, 16520-62-0, InChI=1/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H
• IUPAC Name: but-3-ynylbenzene
• Canonical SMILES: C#CCCC1=CC=CC=C1
• InChI Key: QDEOKXOYHYUKMS-UHFFFAOYSA-N
• Boiling Point: 189-190ºC(lit.)
• Flash Point: 151 °F
• Density: 0.926 g/mL at 25 °C(lit.)
• Exact Mass: 130.07800
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S24/25
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Phenyl-1-butyne?

The molecular formula of 4-Phenyl-1-butyne is C10H10.

What is the molecular weight of 4-Phenyl-1-butyne?

The molecular weight of 4-Phenyl-1-butyne is 130.19 g/mol.

When was 4-Phenyl-1-butyne created in PubChem?

4-Phenyl-1-butyne was created in PubChem on March 27, 2005.

When was the reference last modified?

The reference was last modified on November 25, 2023.

What is the IUPAC name of 4-Phenyl-1-butyne?

The IUPAC name of 4-Phenyl-1-butyne is but-3-ynylbenzene.

What is the InChI of 4-Phenyl-1-butyne?

The InChI of 4-Phenyl-1-butyne is InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H2.

What is the InChIKey of 4-Phenyl-1-butyne?

The InChIKey of 4-Phenyl-1-butyne is QDEOKXOYHYUKMS-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Phenyl-1-butyne?

The canonical SMILES of 4-Phenyl-1-butyne is C#CCCC1=CC=CC=C1.

What is the CAS number of 4-Phenyl-1-butyne?

The CAS number of 4-Phenyl-1-butyne is 16520-62-0.

Is 4-Phenyl-1-butyne a canonicalized compound in PubChem?

Yes, 4-Phenyl-1-butyne is a canonicalized compound in PubChem.