Benzaldehyde, 4-(phenylethynyl)-


Chemical Name: Benzaldehyde, 4-(phenylethynyl)-
CAS Number: 57341-98-7
Product Number: AG003KA0(AGN-PC-0JTQSG)
Synonyms:
MDL No: MFCD00114585
Molecular Formula: C15H10O
Molecular Weight: 206.2393

Identification/Properties


Properties
BP:
364.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
206.244g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
206.073g/mol
Monoisotopic Mass:
206.073g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
279
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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