1-Ethynyl-3-fluorobenzene

• CAS: 2561-17-3
• Catalog Number: ACM2561173
• Category: Alkynyl
• Molecular Weight: 120.12
• Molecular Formula: C₇H₁₄ClN
• Hazard Statements: H226-H315-H319-H335
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 1-Ethynyl-3-fluorobenzene?

The molecular formula of 1-Ethynyl-3-fluorobenzene is C8H5F.

What is the molecular weight of 1-Ethynyl-3-fluorobenzene?

The molecular weight of 1-Ethynyl-3-fluorobenzene is 120.12 g/mol.

What is the IUPAC name of 1-Ethynyl-3-fluorobenzene?

The IUPAC name of 1-Ethynyl-3-fluorobenzene is 1-ethynyl-3-fluorobenzene.

What is the InChI key of 1-Ethynyl-3-fluorobenzene?

The InChI key of 1-Ethynyl-3-fluorobenzene is PTRUTZFCVFUTMW-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Ethynyl-3-fluorobenzene?

The canonical SMILES of 1-Ethynyl-3-fluorobenzene is C#CC1=CC(=CC=C1)F.

What is the CAS number of 1-Ethynyl-3-fluorobenzene?

The CAS number of 1-Ethynyl-3-fluorobenzene is 2561-17-3.

What is the European Community (EC) Number of 1-Ethynyl-3-fluorobenzene?

The European Community (EC) Number of 1-Ethynyl-3-fluorobenzene is 628-768-8.

What is the DSSTox Substance ID of 1-Ethynyl-3-fluorobenzene?

The DSSTox Substance ID of 1-Ethynyl-3-fluorobenzene is DTXSID30334284.

What is the XLogP3 value of 1-Ethynyl-3-fluorobenzene?

The XLogP3 value of 1-Ethynyl-3-fluorobenzene is 2.6.

Is 1-Ethynyl-3-fluorobenzene a canonicalized compound?

Yes, 1-Ethynyl-3-fluorobenzene is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 2561-17-3

• 52059-53-7

Reference: [1] Nature Chemistry, 2014, vol. 6, # 1, p. 22 - 27

Downstream Synthesis Route 2

• 2561-17-3

• 52059-53-7
• 75321-89-0

Reference: [1] Nature Chemistry, 2014, vol. 6, # 1, p. 22 - 27

Downstream Synthesis Route 3

• 2561-17-3

• 350-51-6

Reference: [1] Chemical Communications, 2012, vol. 48, # 40, p. 4827 - 4829

* For details of the synthesis route, please refer to the original source to ensure accuracy.