Benzene, 1-ethynyl-3-fluoro-


Chemical Name: Benzene, 1-ethynyl-3-fluoro-
CAS Number: 2561-17-3
Product Number: AG0033PO(AGN-PC-0JS9CI)
Synonyms:
MDL No:
Molecular Formula: C8H5F
Molecular Weight: 120.1237

Identification/Properties


Properties
BP:
148.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5170(lit.)
Computed Properties
Molecular Weight:
120.126g/mol
XLogP3:
2.6
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:
131
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#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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