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3,4-Difluorophenylacetylene

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

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[2367-82-0]
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[452-76-6]
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[1597-32-6]
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[13566-71-7]
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[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

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