Pyrimidine, 5-ethynyl-


Chemical Name: Pyrimidine, 5-ethynyl-
CAS Number: 153286-94-3
Product Number: AG0037QP(AGN-PC-0K5QDI)
Synonyms:
MDL No:
Molecular Formula: C6H4N2
Molecular Weight: 104.1094

Identification/Properties


Properties
MP:
79.5 °C
BP:
184.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
104.112g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
104.037g/mol
Monoisotopic Mass:
104.037g/mol
Topological Polar Surface Area:
25.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
105
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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