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2232-12-4 molecular structure
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1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione

ChemBase ID: 142556
Molecular Formular: C5H6I2N2O2
Molecular Mass: 379.92228
Monoisotopic Mass: 379.85187344
SMILES and InChIs

SMILES:
CC1(C(=O)N(C(=O)N1I)I)C
Canonical SMILES:
IN1C(=O)N(C(C1=O)(C)C)I
InChI:
InChI=1S/C5H6I2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
InChIKey:
RDZHCKRAHUPIFK-UHFFFAOYSA-N

Cite this record

CBID:142556 http://www.chembase.cn/molecule-142556.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione
IUPAC Traditional name
1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione
Synonyms
DIH
1,3-Diiodo-5,5-dimethylhydantoin
1,3-Diiodo-5,5-dimethyl hydantoin
1,3-二碘-5,5-二甲基海因
CAS Number
2232-12-4
MDL Number
MFCD00020867
Beilstein Number
146040
PubChem SID
162236783
PubChem CID
200534

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 200534 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3503593  LogD (pH = 7.4) 1.3503593 
Log P 1.3503593  Molar Refractivity 55.3349 cm3
Polarizability 22.700909 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
MU0970000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Oxidising Oxidising (O) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
8-35-50/53 expand Show data source
Safety Statements
26-36/37/39-45-60-61 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS05 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H314-H400 expand Show data source
GHS Precautionary statements
P220-P273-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥96% expand Show data source
95+% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H6I2N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 711624 external link
Packaging
5, 25 g in glass bottle
Application
DIH - Highly efficient and economical reagent for IodinationUsed for:
• Preparation of nitriles from corresponding alcohols and amines via oxidative conversion1
• Chemoselective, stereospecific iododesilylation of silylated alkenes2
• Preparation of N-benzyl toluenesulfonamides via sulfonylamidation of alkylbenzenes with toluenesulfonamide in presence of diiododimethylhydantoin3
• Iodination reactions4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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