N-Iodosuccinimide (NIS) - CAS 516-12-1

Catalog:	BB027514
Product Name:	N-Iodosuccinimide (NIS)
CAS:	516-12-1
Synonyms:	1-iodopyrrolidine-2,5-dione; 1-iodopyrrolidine-2,5-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-iodopyrrolidine-2,5-dione
Description:	N-Iodosuccinimide (NIS) (CAS# 516-12-1) is a iodo substituted succinimide that is used as an iodinating agent in chemical synthesis.
Molecular Weight:	224.98
Molecular Formula:	C4H4INO2
Canonical SMILES:	C1CC(=O)N(C1=O)I
InChI:	InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChI Key:	LQZMLBORDGWNPD-UHFFFAOYSA-N
Boiling Point:	249.6 ℃ at 760 mmHg
Density:	2.31 g/cm³
MDL:	MFCD00005512
LogP:	0.42330

Publication Number	Title	Priority Date
CN-113480489-A	Isoxazole biphenyl compound and preparation method and application thereof	20210819
CN-113480534-A	Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof	20210723
CN-113429325-A	Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof	20210706
CN-113480468-A	Method for synthesizing isoindigo derivative by visible light catalysis	20210701
CN-113372361-A	Organic compound and application thereof	20210630

PMID	Publication Date	Title	Journal
30352396	20180901	Bisphenol A increases hydrogen peroxide generation by thyrocytes both in vivo and in vitro	Endocrine connections
28153798	20171215	Thyroid hormone biosynthesis and release	Molecular and cellular endocrinology
27979590	20170401	Development of a screening approach to detect thyroid disrupting chemicals that inhibit the human sodium iodide symporter (NIS)	Toxicology in vitro : an international journal published in association with BIBRA
26827900	20160401	Effect of triclosan, triclocarban, 2,2',4,4'-tetrabromodiphenyl ether, and bisphenol A on the iodide uptake, thyroid peroxidase activity, and expression of genes involved in thyroid hormone synthesis	Toxicology in vitro : an international journal published in association with BIBRA
26519956	20160201	2,3',4,4',5-Pentachlorobiphenyl Induces Inflammatory Responses in the Thyroid Through JNK and Aryl Hydrocarbon Receptor-Mediated Pathway	Toxicological sciences : an official journal of the Society of Toxicology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (93.33%): 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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.92868
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.92868
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2