Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-


Chemical Name: Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
CAS Number: 1671-49-4
Product Number: AG001X4S(AGN-PC-0JUY1W)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264

Identification/Properties


Properties
MP:
120-121 °C
BP:
387.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
215.223g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
215.025g/mol
Monoisotopic Mass:
215.025g/mol
Topological Polar Surface Area:
88.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
313
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-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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