1-Ethynyl-4-fluorobenzene

CAS 766-98-3FC6H4C≡CHChemical Synthesis

1-Ethynyl-4-fluorobenzene (CAS: 766-98-3, Formula: FC 6 H 4 C ≡ CH, MW: 120.12) is a valuable fluorinated organic building block. This compound, featuring a terminal alkyne and a para-substituted fluorine on a benzene ring, serves as a versatile intermediate in organic synthesis. It is particularly useful in the construction of complex molecules for research and development, including pharmaceuticals and materials science, leveraging its unique reactivity.

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1-Ethynyl-4-fluorobenzene (FC6H4C≡CH) — chemical structure, CAS 766-98-3; Chemistry, fine chemical supplied by Tech Serve Solutions

AlkynylBuilding BlocksChemical SynthesisFluorinated Building BlocksHalogenated HydrocarbonsOrganic Building Blocks

01 /Applications

Organic Synthesis Intermediate

1-Ethynyl-4-fluorobenzene is widely employed as a key building block in the synthesis of diverse organic compounds. Its alkynyl and fluorinated phenyl functionalities allow for participation in various coupling reactions and functional group transformations.

Pharmaceutical Research

This compound is utilised in the development of novel pharmaceutical agents. The incorporation of fluorine can modulate a drug candidate's metabolic stability, lipophilicity, and binding affinity, making it an attractive motif in medicinal chemistry.

Materials Science

In materials science, 1-Ethynyl-4-fluorobenzene can be incorporated into polymers or other advanced materials. The presence of the ethynyl group offers possibilities for cross-linking or further functionalization, while the fluorophenyl moiety can influence electronic or physical properties.

02 /Properties

Molecular weight	120.12
Linear formula	FC6H4C≡CH
Assay	99%
Boiling point	55-56 °C/40 mmHg(lit.)
Density	1.048 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.516(lit.)
Melting point	26-27 °C(lit.)

03 /Safety & handling

GHS hazard pictogram: Flammable (GHS02) — Flammable

GHS hazard pictogram: Harmful / irritant (GHS07) — Harmful / irritant

Danger

Hazard statements

H228Flammable solid
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat, sparks and open flames. No smoking
P261Avoid breathing dust, fume, gas or vapours
P305IF IN EYES

Protective equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point	29 °C / 84.2 °F
Transport (UN / ADR)	UN 1325 4.1 / PGII
Water hazard class (WGK, DE)	3
Hazard codes (EU)	F,Xi
Risk statements (R)	36/37/38
Safety statements (S)	16-26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

766-98-3

MDL number

MFCD00168823

PubChem substance

24865238

Beilstein registry

1099285

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 1-Ethynyl-4-fluorobenzene used for?

1-Ethynyl-4-fluorobenzene is primarily used as a versatile intermediate in organic synthesis, particularly in pharmaceutical research and materials science for constructing complex fluorinated organic molecules.

What is the CAS number and chemical formula for 1-Ethynyl-4-fluorobenzene?

The CAS number for 1-Ethynyl-4-fluorobenzene is 766-98-3, and its chemical formula is FC 6 H 4 C ≡ CH.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies 1-Ethynyl-4-fluorobenzene with a minimum assay of 99%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade unless explicitly stated.

How should 1-Ethynyl-4-fluorobenzene be handled?

1-Ethynyl-4-fluorobenzene is classified as Danger, with hazards including flammability (H228) and irritation to skin, eyes, and respiratory tract (H315, H319, H335). Handle with appropriate personal protective equipment, including gloves, eyeshields, and a suitable respirator, in a well-ventilated area. Keep away from heat and open flames.

How is 1-Ethynyl-4-fluorobenzene shipped and exported?

1-Ethynyl-4-fluorobenzene is classified under UN 1325, Hazard Class 4.1, Packing Group II. Tech Serve Solutions is experienced in exporting fine chemicals globally, adhering to all relevant transportation regulations.

How can I request a sample or quote for 1-Ethynyl-4-fluorobenzene?

To request a sample or a quote for 1-Ethynyl-4-fluorobenzene, please contact our sales team through the website or by phone, providing your contact details and the quantity required.