3,4-Difluorophenylacetylene - CAS 143874-13-9
Catalog: |
BB009681 |
Product Name: |
3,4-Difluorophenylacetylene |
CAS: |
143874-13-9 |
Synonyms: |
4-ethynyl-1,2-difluorobenzene |
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 ℃ at 760 mmHg |
Density: | 1.17 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD08059511 |
LogP: | 1.94610 |
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 |
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 |
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 |
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