Benzene, 1,3-dichloro-5-(methylsulfonyl)-


Chemical Name: Benzene, 1,3-dichloro-5-(methylsulfonyl)-
CAS Number: 22821-89-2
Product Number: AG003ILZ(AGN-PC-0JLY9S)
Synonyms:
MDL No: MFCD00068893
Molecular Formula: C7H6Cl2O2S
Molecular Weight: 225.0923

Identification/Properties


Properties
BP:
382.8 °C at 760 mmHg
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
225.083g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
223.947g/mol
Monoisotopic Mass:
223.947g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
12
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#:
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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