Catalog No.:AA003E8V

766-49-4 | 1-Ethynyl-2-fluorobenzene

Name: Name:1-Ethynyl-2-fluorobenzene
Brand: AABLOCKS
SKU: AA003E8V
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98%

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10g

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA003E8V

Chemical Name:

1-Ethynyl-2-fluorobenzene

CAS Number:

766-49-4

Molecular Formula:

C8H5F

Molecular Weight:

120.1237

MDL Number:

MFCD00799540

SMILES:

C#Cc1ccccc1F

Properties

BP:

150°C at 760 mmHg

Form:

Liquid

Refractive Index:

1.524-1.527

Storage:

Inert atmosphere;2-8℃;

Computed Properties

Complexity:

131

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

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