404330

1-Ethynyl-4-fluorobenzene

99%

Manufacturer: Sigma Aldrich

CAS Number: 766-98-3

Synonym(S): (4-Fluorophenyl)acetylene, (4-Fluorophenyl)ethyne, (p-Fluorophenyl)acetylene, (p-Fluorophenyl)ethyne, 1-Fluoro-4-ethynylbenzene, 2-(4-Fluorophenyl)acetylene, 4-Ethynylfluorobenzene, 4-Fluoroethynylbenzene

Select a Size

Pack Size SKU Availability Price
1 G 404330-1-G In Stock ₹ 8,627.53
5 G 404330-5-G In Stock ₹ 22,342.80

404330 - 1 G

₹ 8,627.53

In Stock

Quantity

1

Base Price: ₹ 8,627.53

GST (18%): ₹ 1,552.955

Total Price: ₹ 10,180.485

Quality Level

200

Assay

99%

form

solid

refractive index

n20/D 1.516 (lit.)

bp

55-56 °C/40 mmHg (lit.)

mp

26-27 °C (lit.)

density

1.048 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Fc1ccc(cc1)C#C

InChI

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

Other Options

Image Product Name Manufacturer Price Range
50-242-3795
eMolecules​ Ambeed / 1-Ethynyl-4-fluorobenzene / 1g / 514323591 / A209089 / / 766-98-3 / MFCD00168823 / 120.126 / C8H5F
eMolecules​ ₹ 1,984.99
CS-W016580
1-Ethynyl-4-fluorobenzene
ChemScene ₹ 427.80 - ₹ 50,822.64
AB45008
766-98-3 | 1-Ethynyl-4-fluorobenzene
A2B Chem ₹ 342.24 - ₹ 10,780.56

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Description

  • General description: 1-Ethynyl-4-fluorobenzene (pFAB) is a fluorobenzene derivative. Trianionic pincer alkylidyne complex catalyzed polymerization of 1-ethynyl-4-fluorobenzene has been reported.[1] The surface of the iodophenyl-terminated organic monolayers has been modified by Sonogashira coupling of the iodophenyl groups found on the surface with pFAB.[2] Dimerization catalyzed by Y[N(TMS)2]3 and 4-chloroaniline gave exclusive formation of one of three possible enediynes in excellent yield.[3]
  • Application: 1-Ethynyl-4-fluorobenzene may be used in the synthesis of the following: 3-(4-Fluorophenyl)-1H-isochromen-1-one by reacting with 2-iodobenzoic acid in the presence of copper catalyst.[4]4-Bromo-3,5-difluoro-2,6-bis-(4-fluoro-phenylethynyl)-pyridine by reacting with 2,4,6-tribromo-3,5-difluoropyridine by palladium catalyzed Sonogashira reaction.[5] 1-(4-Fluorophenyl)-3-methoxy-3-(4-methoxyphenyl)propan-1-one by reacting with p-anisaldehyde.[6]5-(4-Fluorophenyl)-1-(2-nitrobenzyl)-1H-1,2,3-triazole by reacting with 1-(bromomethyl)-2-nitrobenzene in the presence of sodium azide.[7]

SAFETY INFORMATION

Pictograms

GHS02,GHS07

Signal Word

Danger

Hazard Statements

H228,H315,H319,H335

Precautionary Statements

P210 - P240 - P241 - P261 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Quality Level:
200

Assay:
99%

form:
solid

refractive index:
n20/D 1.516 (lit.)

bp:
55-56 °C/40 mmHg (lit.)

mp:
26-27 °C (lit.)

density:
1.048 g/mL at 25 °C (lit.)

storage temp.:
2-8°C

SMILES string:
Fc1ccc(cc1)C#C

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

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SMILES string:
CC(C)(C)c1cc(\C=N\[C@@H]2CCCC[C@H]2\N=C\c3cc(cc(c3O)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:
1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/b37-21+,38-22+/t29-,30-/m1/s1

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SMILES string:
CC(C)(C)c1cc(\C=N\[C@H]2CCCC[C@@H]2\N=C\c3cc(cc(c3O)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:
1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/b37-21+,38-22+/t29-,30-/m0/s1