Catalog No.:AA0033YS

766-98-3 | 1-Ethynyl-4-fluorobenzene

Name: Name:1-Ethynyl-4-fluorobenzene
Brand: AABLOCKS
SKU: AA0033YS
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA0033YS

Chemical Name:

1-Ethynyl-4-fluorobenzene

CAS Number:

766-98-3

Molecular Formula:

C8H5F

Molecular Weight:

120.1237

MDL Number:

MFCD00168823

SMILES:

C#Cc1ccc(cc1)F

Properties

BP:

55°C at 760 mmHg

Form:

Solid

MP:

26-27 °C(lit.)

Refractive Index:

n20/D 1.516(lit.)

Storage:

Inert atmosphere;2-8℃;

Computed Properties

Complexity:

123

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

2.3

Literature

Title: Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation.

Journal: The journal of physical chemistry. A 20111020

Title: Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes.

Journal: The journal of physical chemistry. A 20090305

Title: Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations.

Journal: Bioorganic & medicinal chemistry letters 20070401

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