Benzo[b]thiophene-3-carboxaldehyde


Chemical Name: Benzo[b]thiophene-3-carboxaldehyde
CAS Number: 5381-20-4
Product Number: AG0032OE(AGN-PC-0JGAZZ)
Synonyms:
MDL No:
Molecular Formula: C9H6OS
Molecular Weight: 162.2083

Identification/Properties


Properties
MP:
53-57 °C(lit.)
BP:
303.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
162.206g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
162.014g/mol
Monoisotopic Mass:
162.014g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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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