Benzenesulfonic acid, butyl ester


Chemical Name: Benzenesulfonic acid, butyl ester
CAS Number: 80-44-4
Product Number: AG003OLM(AGN-PC-0JK7OE)
Synonyms:
MDL No:
Molecular Formula: C10H14O3S
Molecular Weight: 214.2814

Identification/Properties


Properties
BP:
153 °C / 7mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4980-1.5020
Computed Properties
Molecular Weight:
214.279g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
214.066g/mol
Monoisotopic Mass:
214.066g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
235
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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