1-Ethynyl-4-fluorobenzene - CAS 766-98-3

Catalog:	BB035679
Product Name:	1-Ethynyl-4-fluorobenzene
CAS:	766-98-3
Synonyms:	1-ethynyl-4-fluorobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-ethynyl-4-fluorobenzene
Description:	1-Ethynyl-4-fluorobenzene (CAS# 766-98-3) is a compound useful in organic synthesis.
Molecular Weight:	120.12
Molecular Formula:	C8H5F
Canonical SMILES:	C#CC1=CC=C(C=C1)F
InChI:	InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI Key:	QXSWHQGIEKUBAS-UHFFFAOYSA-N
Boiling Point:	55-56 °C (40 mmHg)
Purity:	98 %
Density:	1.048 g/cm³
MDL:	MFCD00168823
LogP:	1.80700

Publication Number	Title	Priority Date
CN-113501835-A	Aluminium chloride catalyzed end group alkyne dehydroboronization method	20210712
CN-113429325-A	Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof	20210706
CN-113429335-A	Lysosome targeted dual-response two-photon fluorescence probe and preparation method and application thereof	20210625
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-113248455-A	3, 5-disubstituted isoxazole derivatives and synthesis method thereof	20210525

PMID	Publication Date	Title	Journal
21879772	20111020	Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation	The journal of physical chemistry. A
19206507	20090305	Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes	The journal of physical chemistry. A
17300931	20070401	Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations	Bioorganic & medicinal chemistry letters
11843148	20020118	Polybenzimidazole-supported [Rh(cod)Cl]2 complex: effective catalyst for the polymerization of substituted acetylenes	Chemistry (Weinheim an der Bergstrasse, Germany)

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]
3'-Fluoroacetanilide

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[451-46-7]
Ethyl 4-fluorobenzoate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H228 (98.08%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.037528322
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.037528322
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3