Benzene, 1-ethynyl-4-fluoro-


Chemical Name: Benzene, 1-ethynyl-4-fluoro-
CAS Number: 766-98-3
Product Number: AG00341K(AGN-PC-0JSAPW)
Synonyms:
MDL No:
Molecular Formula: C8H5F
Molecular Weight: 120.1237

Identification/Properties


Properties
MP:
26-27 °C(lit.)
BP:
55°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.516(lit.)
Computed Properties
Molecular Weight:
120.126g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
120.038g/mol
Monoisotopic Mass:
120.038g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
123
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:
Danger
UN#:
1325
Hazard Statements:
H228-H315-H319-H335
Precautionary Statements:
P210-P261
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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