Benzene, 1-chloro-4-(phenylsulfonyl)-


Chemical Name: Benzene, 1-chloro-4-(phenylsulfonyl)-
CAS Number: 80-00-2
Product Number: AG003L7Y(AGN-PC-0JK7NX)
Synonyms:
MDL No:
Molecular Formula: C12H9ClO2S
Molecular Weight: 252.71666

Identification/Properties


Properties
MP:
90-94 °C(lit.)
BP:
389 °C / 719mmHg
Storage:
-10 ℃;Inert atmosphere;
Form:
Solid
Solubility:
acetone: soluble74.4 g/100ml at 20°C(lit.)
Computed Properties
Molecular Weight:
252.712g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
252.001g/mol
Monoisotopic Mass:
252.001g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
306
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+H312+H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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