1-(Methylsulfonyl)-3-nitrobenzene - CAS 2976-32-1

Catalog:	BB020303
Product Name:	1-(Methylsulfonyl)-3-nitrobenzene
CAS:	2976-32-1
Synonyms:	1-methylsulfonyl-3-nitrobenzene; 1-methylsulfonyl-3-nitrobenzene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-methylsulfonyl-3-nitrobenzene
Description:	1-(Methylsulfonyl)-3-nitrobenzene (CAS# 2976-32-1) is a useful research chemical.
Molecular Weight:	201.20
Molecular Formula:	C7H7NO4S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChI Key:	FTJMAAWQEAOBBI-UHFFFAOYSA-N
Boiling Point:	392.8 °C at 760 mmHg
Density:	1.406 g/cm³
LogP:	2.60230

Publication Number	Title	Priority Date
CN-213760791-U	A separator that is used for 2-nitro-4 methylsulfonyl benzoic acid production to mix with raw materials	20201116
CN-110229088-A	A kind of preparation method of mesotrione intermediate	20190709
CN-110256308-A	A kind of synthesis technology of mesotrione	20190709
CN-109503437-A	The preparation method of 2- nitryl-4-thiamphenicol benzoic acid	20190116
CN-108715580-A	A kind of industrialized preparing process of 2- nitryl-4-thiamphenicol benzoic acids	20180704

PMID	Publication Date	Title	Journal
20458960	20090901	[Screening of new 2,4- and 2,6-dinitroaniline derivates for phytotoxicity and antimitotic activity]	TSitologiia i genetika

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.00957888
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.00957888
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5