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Nitrogen Compounds
6-Nitro-1,2-benzisothiazol-3-one 1,1-Dioxide

6-Nitro-1,2-benzisothiazol-3-one 1,1-Dioxide - CAS 22952-24-5

Catalog:	BB017836
Product Name:	6-Nitro-1,2-benzisothiazol-3-one 1,1-Dioxide
CAS:	22952-24-5
Synonyms:	6-nitro-1,1-dioxo-1,2-benzothiazol-3-one; 6-nitro-1,1-dioxo-1,2-benzothiazol-3-one

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
Description:	6-Nitro-1,2-benzisothiazol-3-one 1,1-Dioxide (CAS# 22952-24-5) is a useful research chemical.
Molecular Weight:	228.18
Molecular Formula:	C7H4N2O5S
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=O
InChI:	InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChI Key:	HZZFBUZSKAVIOV-UHFFFAOYSA-N
Density:	1.762 g/cm³
Appearance:	Yellow powder
MDL:	MFCD00110677
LogP:	1.95970

Publication Number	Title	Priority Date
CN-112125828-A	Synthetic method of foramsulfuron intermediate	20200907
WO-2020084059-A1	N-nitrosaccharins	20181026
WO-2020084094-A1	Nitration	20181026
EP-3717464-A1	Nitration	20181026
CN-113302186-A	Nitration	20181026

PMID	Publication Date	Title	Journal
15337684	20040901	Identification of ligands for two human bitter T2R receptors	Chemical senses

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	406
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.98409241
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.98409241
Rotatable Bond Count:	0
Topological Polar Surface Area:	117 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7