Benzene, 1-(methylthio)-4-nitro-


Chemical Name: Benzene, 1-(methylthio)-4-nitro-
CAS Number: 701-57-5
Product Number: AG003LWS(AGN-PC-0JM1OQ)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2S
Molecular Weight: 169.2010

Identification/Properties


Properties
MP:
66-69 °C(lit.);
BP:
289.4 °C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Stability:
Stench
Refractive Index:
1.6401 (estimate)
Computed Properties
Molecular Weight:
169.198g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
169.02g/mol
Monoisotopic Mass:
169.02g/mol
Topological Polar Surface Area:
71.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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