N-Iodosuccinimide

C₄H₄INO₂CAS 516-12-1224.99 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₄H₄INO₂
Molar mass: 224.99 g/mol
Exact mass: 224.9287 Da
Melting point: 200–201 °C
logP: 0.49Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation90.8% of notifiers
H319 Causes serious eye irritation90.8% of notifiers
H335 May cause respiratory irritation87.4% of notifiers

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

516-12-1

SMILES

O=C1CCC(=O)N1I

InChIKey

LQZMLBORDGWNPD-UHFFFAOYSA-N

InChI

InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.73 (s, 4H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 177.1, 26.3.

[M + H]+

[M + H]+ Calcd for C4H5INO2 225.9360

[M + Na]+

[M + Na]+ Calcd for C4H4INNaO2 247.9179

[M − H]−

[M − H]− Calcd for C4H3INO2 223.9214

Elemental analysis

Anal. Calcd for C4H4INO2: C, 21.35; H, 1.79; N, 6.23.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2,5-Pyrrolidinedione, 1-iodo-
Succinimide, N-iodo-
1-Iodo-2,5-pyrrolidinedione
NIS
Succiniodimide

Reactions

N-IODOSUCCINIMIDE (Succinimide, N-iodo-)product

Work with N-Iodosuccinimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methylsuccinimide1121-07-943 % similar N-Bromosuccinimide128-08-543 % similar N-Chlorosuccinimide128-09-643 % similar N-Hydroxysuccinimide6066-82-643 % similar Di(succinimido) carbonate74124-79-139 % similar Iodoacetic acid N-hydroxysuccinimide ester39028-27-837 % similar N-[2-Hydroxyethyl]succinimide18190-44-836 % similar Disuccinimidyl glutarate79642-50-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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