Thiophene, 3-ethynyl-


Chemical Name: Thiophene, 3-ethynyl-
CAS Number: 67237-53-0
Product Number: AG003JEW(AGN-PC-0KW9Y8)
Synonyms:
MDL No:
Molecular Formula: C6H4S
Molecular Weight: 108.1610

Identification/Properties


Properties
BP:
149.969 °C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5800(lit.)
Computed Properties
Molecular Weight:
108.158g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
108.003g/mol
Monoisotopic Mass:
108.003g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
98
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-H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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