1-Chloro-4-(phenylethynyl)benzene - CAS 5172-02-1
Catalog: |
BB027559 |
Product Name: |
1-Chloro-4-(phenylethynyl)benzene |
CAS: |
5172-02-1 |
Synonyms: |
1-chloro-4-(2-phenylethynyl)benzene |
IUPAC Name: | 1-chloro-4-(2-phenylethynyl)benzene |
Description: | 1-Chloro-4-(phenylethynyl)benzene (CAS# 5172-02-1 ) is a useful research chemical. |
Molecular Weight: | 212.67 |
Molecular Formula: | C14H9Cl |
Canonical SMILES: | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
InChI Key: | YMZAAGCDWVIPNL-UHFFFAOYSA-N |
Boiling Point: | 327 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD00957930 |
LogP: | 3.73980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111233610-A | Synthesis method of trans-olefin compound | 20200316 |
CN-110386854-A | A kind of preparation method of the aryl alkynes of visible light catalytic | 20190807 |
CN-109734548-A | A kind of preparation method of the aryl alkynes of palladium chtalyst | 20190125 |
CN-109518211-B | Electrochemical synthesis method of aromatic acyl-coupled compound | 20190108 |
US-2020122132-A1 | Palladium acyclic diaminocarbene complexes as precatalysts for hiyama coupling and the tandem one-pot fluoride free hiyama coupling/cyclization for the synthesis of biologically relevant | 20181023 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0392780 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0392780 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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