Cas no 766-98-3 (1-Ethynyl-4-fluorobenzene)
1-Ethynyl-4-fluorobenzene is a fluorinated aromatic compound featuring an ethynyl functional group attached to a benzene ring substituted with a fluorine atom at the para position. This structure imparts unique reactivity, making it valuable in cross-coupling reactions, such as Sonogashira coupling, for synthesizing complex organic frameworks. The fluorine substituent enhances electronic properties, influencing regioselectivity and stability in intermediates. Its high purity and well-defined molecular structure make it suitable for pharmaceutical and materials science applications, particularly in the development of fluorinated polymers or bioactive molecules. The compound is handled under inert conditions to preserve its reactivity. Typical applications include use as a building block in fine chemical synthesis.
1-Ethynyl-4-fluorobenzene structure
Product Name:1-Ethynyl-4-fluorobenzene
CAS No:766-98-3
MF:C8H5F
MW:120.123705625534
MDL:MFCD00168823
CID:39820
PubChem ID:522627
Update Time:2025-05-27
1-Ethynyl-4-fluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Ethynyl-4-fluorobenzene
- 4-Fluorophenylacetylene
- 4-FLUOROPHENYLACETYELNE
- C8H5F
- Benzene, 1-ethynyl-4-fluoro-
- 1-ethynyl-4-fluoro-benzene
- 4'-fluorophenyl acetylene
- (p-Fluorophenyl)acetylene
- QXSWHQGIEKUBAS-UHFFFAOYSA-N
- 4'-Fluorophenylacetylene
- PubChem16719
- 4-fluorophenyl acetylene
- 4-Fluoro phenylacetylene
- (4-fluorophenyl)acetylene
- 4-ethynyl-1-fluorobenzene
- 1-fluoro-4-ethynylbenzene
- 1-Ethinyl-4-fluorobenzene
- 1-ethynyl--4-fluorobenzene
- 4-FC6H4CCH
- 1
- 1-Fluoro-4-ethynylbenzene;
- F0001-1953
- AMY19915
- FT-0632916
- 1-ETHYNYL,4-FLUORO-BENZENE
- CS-W016580
- 1-Ethynyl-4-fluorobenzene, 99%
- MFCD00168823
- Q-103123
- SCHEMBL186243
- DTXSID10335017
- PS-9227
- A9723
- AC-19403
- EN300-103797
- PB43440
- AKOS008901264
- F0470
- 766-98-3
- CHEMBL233810
- 1-Ethynyl-4-fluorobenzene #
- InChI=1/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6
- 1-Ethynyl-4-fluoro-benzene; 1-Fluoro-4-ethynylbenzene;
- doi:10.14272/QXSWHQGIEKUBAS-UHFFFAOYSA-N.1
- DTXCID60286106
- DB-019178
-
- MDL： MFCD00168823
- Inchi： 1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
- InChI Key： QXSWHQGIEKUBAS-UHFFFAOYSA-N
- SMILES： FC1C=CC(C#C)=CC=1
- BRN： 1099285
Computed Properties
- Exact Mass: 120.03800
- Monoisotopic Mass: 120.037528322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Colorless to Yellow Liquid
- Density: 1.048?g/mL?at 25?°C(lit.)
- Melting Point: 26-27?°C (lit.)
- Boiling Point: 55-56?°C/40?mmHg(lit.)
- Flash Point: Fahrenheit: 84.2 ° f
Celsius: 29 ° c - Refractive Index: n20/D 1.516(lit.)
- Water Partition Coefficient: Soluble in chloroform, diethyl ether, acetone, dichloromethane, hexane and ethanol. Highly soluble in toluene. Insoluble in water.
- PSA: 0.00000
- LogP: 1.80700
- Solubility: Not determined
1-Ethynyl-4-fluorobenzene Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Danger
- Hazard Statement： H228,H315,H319,H335
- Warning Statement： P210,P261,P305+P351+P338
- Hazardous Material transportation number：UN 1325 4.1/PG 2
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S16-S26-S36-S37/39
-
Hazardous Material Identification：
- Safety Term：4.1
- Packing Group：II
- Risk Phrases：R11; R36/37/38
- HazardClass：4.1
- PackingGroup：III
- Storage Condition：0-10°C
1-Ethynyl-4-fluorobenzene Customs Data
- HS CODE：2903999090
- Customs Data：
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
1-Ethynyl-4-fluorobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E809168-100g |
1-Ethynyl-4-fluorobenzene |
766-98-3 | 98% | 100g |
1,880.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 404330-1G |
1-Ethynyl-4-fluorobenzene |
766-98-3 | 1g |
￥481.43 | 2023-12-06 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 404330-5G |
1-Ethynyl-4-fluorobenzene |
766-98-3 | 5g |
￥824.49 | 2023-12-06 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | F0470-5G |
1-Ethynyl-4-fluorobenzene |
766-98-3 | >98.0%(GC) | 5g |
￥730.00 | 2024-04-15 | |
| TRC | F595705-1g |
4-Fluorophenylacetylene |
766-98-3 | 1g |
$ 75.00 | 2023-09-07 | ||
| TRC | F595705-2g |
4-Fluorophenylacetylene |
766-98-3 | 2g |
80.00 | 2021-08-12 | ||
| TRC | F595705-5g |
4-Fluorophenylacetylene |
766-98-3 | 5g |
$104.00 | 2023-05-18 | ||
| TRC | F595705-10g |
4-Fluorophenylacetylene |
766-98-3 | 10g |
340.00 | 2021-08-12 | ||
| TRC | F595705-25g |
4-Fluorophenylacetylene |
766-98-3 | 25g |
815.00 | 2021-08-12 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | E38050-1g |
1-Ethynyl-4-fluorobenzene |
766-98-3 | 98% | 1g |
￥27.0 | 2023-09-08 |
1-Ethynyl-4-fluorobenzene Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:766-98-3)1-Ethynyl-4-fluorobenzene
Order Number:A9723
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:33
Price ($):529.0
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:766-98-3)4-氟苯乙炔
Order Number:LE2441557
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:37
Price ($):discuss personally
Email:[email protected]
1-Ethynyl-4-fluorobenzene Related Literature
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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