1-Ethynyl-4-fluorobenzene

Basic Information

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CAS Number

766-98-3

Molecular Formula

C8H5F

Molecular Weight

120.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Melting Point

26-27 °C

Boiling Point

55-56 °C/40 mmHg

Density

1.048 g/mL at 25 °C

Water Solubility

Soluble in chloroform, diethyl ether, acetone, dichloromethane, hexane and ethanol. Highly soluble in toluene. Insoluble in water.

Refractive Index

n20/D 1.516(lit.)

SMILES

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C#CC1=CC=C(C=C1)F

InChI

InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H

InChIKey

QXSWHQGIEKUBAS-UHFFFAOYSA-N

LogP

1.80700

Complexity

123

Safety Information

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GHS Hazard Pictograms

H228

H315

H319

H335

Hazard Statement

H228 Flammable solid
Flammable solids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

MFCD00168823
AMY19915
1-Ethynyl-4-fluorobenzene #
1-Ethynyl-4-fluorobenzene
4-Fluorophenylacetylene
1-ethynyl-4-fluoro-benzene
AC-19403
DTXSID10335017
PS-9227
4-FLUOROPHENYLACETYELNE
Q-103123
4'-fluorophenyl acetylene
(4-fluorophenyl)acetylene
766-98-3
1-Fluoro-4-ethynylbenzene;
1-Ethynyl-4-fluorobenzene, 99%
PB43440
4-Fluoro phenylacetylene
A9723
InChI=1/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6
AKOS008901264
F0470
(p-Fluorophenyl)acetylene
EN300-103797
1-fluoro-4-ethynylbenzene
FT-0632916
CHEMBL233810
1-ETHYNYL,4-FLUORO-BENZENE
1-Ethinyl-4-fluorobenzene
4-fluorophenyl acetylene
Benzene, 1-ethynyl-4-fluoro-

MDL Number

MFCD00168823

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3)?

1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) falls under various regulatory frameworks such as GHS (Global Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for EU-based manufacturers and importers, and FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations for its use in the United States. Proper labeling, storage, and disposal must comply with these guidelines to ensure safety and environmental protection.

Are there alternatives to 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) in synthesis?

While 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) is a valuable intermediate in organic synthesis, alternatives such as 1-fluorobenzene or related fluorobenzene derivatives can be used depending on the specific reaction conditions. Using isomers or similar compounds can offer safer, more efficient, or more environmentally friendly options in the synthesis process.

What is the market or research trend for 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3)?

The market for 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) is driven by its use in pharmaceuticals and agrochemicals due to its unique chemical properties. Research trends include developing more cost-effective and sustainable synthesis methods, as well as exploring its potential in newer applications. The demand is expected to grow as new applications are discovered and existing ones are optimized.

How should waste containing 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) be handled?

Waste containing 1-Ethynyl-4-fluorobenzene (CAS: 766-98-3) should be collected in appropriate, leak-proof containers and stored in a well-ventilated area away from direct sunlight and ignition sources. Incineration should be done in a controlled incinerator with proper air pollution control measures. Professional waste disposal services should be used to ensure compliance with local regulations and to minimize environmental impact.