Phenyl propargyl ether

• CAS: 13610-02-1
• Catalog Number: ACM13610021
• Category: Other Fluorinated Organic Building Blocks
• Molecular Weight: 132.16
• Molecular Formula: C₇H₆FNO₄S
• Synonyms: Phenyl propargyl ether, Phenyl 2-propynyl ether, 3-Phenoxy-1-propyne, (Prop-2-ynyloxy)benzene, Benzene, (2-propynyloxy)-, Ether, phenyl 2-propynyl, (prop-2-yn-1-yloxy)benzene, 78960_FLUKA, EINECS 237-095-5, SBB008983, ZINC02169051, 13610-02-1, InChI=1/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H
• IUPAC Name: prop-2-ynoxybenzene
• Canonical SMILES: C#CCOC1=CC=CC=C1
• InChI Key: AIQRJSXKXVZCJO-UHFFFAOYSA-N
• Boiling Point: 202.7ºC at 760mmHg
• Flash Point: 68.6ºC
• Density: 1.014g/cm³
• Appearance: Clear colorless to faintly yellow liquid
• EC Number: 237-095-5
• Exact Mass: 132.05800
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S23-S24/25
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of phenyl propargyl ether?

The molecular formula of phenyl propargyl ether is C9H8O.

When was phenyl propargyl ether first created?

Phenyl propargyl ether was first created on March 26, 2005.

What is the molecular weight of phenyl propargyl ether?

The molecular weight of phenyl propargyl ether is 132.16 g/mol.

What is the InChIKey for phenyl propargyl ether?

The InChIKey for phenyl propargyl ether is AIQRJSXKXVZCJO-UHFFFAOYSA-N.

How many hydrogen bond donor counts does phenyl propargyl ether have?

Phenyl propargyl ether has 0 hydrogen bond donor counts.

What is the exact mass of phenyl propargyl ether?

The exact mass of phenyl propargyl ether is 132.057514874 g/mol.

Does phenyl propargyl ether have any defined atom stereocenter counts?

No, phenyl propargyl ether does not have any defined atom stereocenter counts.

What is the topological polar surface area of phenyl propargyl ether?

The topological polar surface area of phenyl propargyl ether is 9.2?2.

How many rotatable bond counts does phenyl propargyl ether have?

Phenyl propargyl ether has 2 rotatable bond counts.

Is phenyl propargyl ether a canonicalized compound?

Yes, phenyl propargyl ether is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 6165-75-9
• 108-95-2

• 13610-02-1

Reference: [1]Justus Liebigs Annalen der Chemie,1955,vol. 596,p. 65

Upstream Synthesis Route 2

• 6165-75-9
• 100-67-4

• 13610-02-1

Reference: [1]Journal of Organic Chemistry USSR (English Translation),1969,vol. 5,p. 475 - 478
Zhurnal Organicheskoi Khimii,1969,vol. 5,p. 488 - 492

Upstream Synthesis Route 3

• 107-19-7
• 108-95-2

• 13610-02-1

Reference: [1]Subramanian, R. Sankara; Balasubramanian, K. K.
[Synthetic Communications, 1989, vol. 19, # 7,8, p. 1255 - 1260]
[2]Lanning, Maryanna E.; Fletcher, Steven
[Tetrahedron Letters, 2013, vol. 54, # 35, p. 4624 - 4628]
[3]Murase, Hirohiko; Senda, Kousuke; Senoo, Masato; Hata, Takeshi; Urabe, Hirokazu
[Chemistry - A European Journal, 2014, vol. 20, # 1, p. 317 - 322]
[4]Batra, Neha; Roy, Basabi; Mazumder, Sibnath; Nath, Mahendra
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2015, vol. 54B, # 5, p. 650 - 655]

Downstream Synthesis Route 1

• 13610-02-1

• 19090-04-1

Reference: [1] Angewandte Chemie - International Edition, 2012, vol. 51, # 8, p. 1915 - 1918

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