Benzaldehyde, 2-(methylsulfonyl)-


Chemical Name: Benzaldehyde, 2-(methylsulfonyl)-
CAS Number: 5395-89-1
Product Number: AG003F36(AGN-PC-0JNA5V)
Synonyms:
MDL No:
Molecular Formula: C8H8O3S
Molecular Weight: 184.2123

Identification/Properties


Properties
MP:
98-99℃(Solv: water (7732-18-5))
BP:
385.7°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
184.209g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
184.019g/mol
Monoisotopic Mass:
184.019g/mol
Topological Polar Surface Area:
59.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
250
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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