Benzenesulfonic acid, ethyl ester


Chemical Name: Benzenesulfonic acid, ethyl ester
CAS Number: 515-46-8
Product Number: AG003QEA(AGN-PC-0JK9LW)
Synonyms:
MDL No:
Molecular Formula: C8H10O3S
Molecular Weight: 186.2282

Identification/Properties


Properties
BP:
283.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.5090-1.5110
Computed Properties
Molecular Weight:
186.225g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
186.035g/mol
Monoisotopic Mass:
186.035g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
209
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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