3,4-Difluorophenylacetylene - CAS 143874-13-9

Catalog:	BB009681
Product Name:	3,4-Difluorophenylacetylene
CAS:	143874-13-9
Synonyms:	4-ethynyl-1,2-difluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-ethynyl-1,2-difluorobenzene
Description:	A fundamental building block used in organic synthesis for the preparation of metalated and metal-free tetraalkynyl-substituted phthalocyanines, and 3,5-substituted enones etc.
Molecular Weight:	138.11
Molecular Formula:	C8H4F2
Canonical SMILES:	C#CC1=CC(=C(C=C1)F)F
InChI:	InChI=1S/C8H4F2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChI Key:	XFPAOXIWRDDQGG-UHFFFAOYSA-N
Boiling Point:	145.9 °C at 760 mmHg
Density:	1.17 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD08059511
LogP:	1.94610

Publication Number	Title	Priority Date
CN-111111785-A	COF material supported transition metal catalyst and preparation method and application thereof	20191213
JP-2021091630-A	Liquid crystal compounds and liquid crystal compositions for high-frequency devices	20191210
WO-2021079743-A1	Compound, liquid crystal composition and high-frequency phase shifter	20191021
KR-20210024434-A	Pharmaceutical composition for preventing or treating bacterial infection comprising of 4-Gingerol Analogs as active ingredients	20190823
WO-2021040333-A1	Composition for preventing or treating bacterial infectious disease comprising 4-gingerol derivative compound as active ingredient	20190823

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Related Functional Groups

Alkynes

[66800-19-9]
5-Octyn-1-ol tetrahydropyranol ether
[926-55-6]
2-Methyl-1-penten-3-yne
[1087-09-8]
1,4-Diphenyl-2-butyne-1,4-dione
[1777-03-3]
(Triethylsilyl)acetylene
[127-66-2]
2-Phenyl-3-butyn-2-ol
[2978-58-7]
2-Methyl-3-butyn-2-amine

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.02810645
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.02810645
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4