Iodogen
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Basic information
- CAS
51592-06-4- Standard SMILES
O=C1N(Cl)C2(c3ccccc3)N(Cl)C(=O)N(Cl)C2(c2ccccc2)N1Cl- InChIKey
FJQZXCPWAGYPSD-UHFFFAOYSA-N- Molecular formula
- C16H10Cl4N4O2
- Average molar mass
- 432.1 g/mol
- Monoisotopic mass
- 429.955786
Names & identifiers
- Preferred name
- Iodogen
- IUPAC
- 1,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione
- English name
- 1,3,4,6-TETRACHLORO-3ALPHA,6ALPHA-DI-PHENYLGLYCOURIL
- Molecular formula
- C16H10Cl4N4O2
- Molecular weight
- 432.09
Names & synonyms
51592-06-4Iodo-genIodogenDTXSID0068652Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-1,3,4,6-tetrachloro-3 alpha,6 alpha-diphenylglycoluril1,3,4,6-Tetrachlorotetrahydro-3a, 6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dioneImidazo(4,5-d)imidazole-2,5(1H,3H)-dione, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl-RefChem:72240DTXCID30410391,3,4,6-Tetrachloro-3a,6a-diphenylglycoluril1,3,4,6-TETRACHLORO-3ALPHA,6ALPHA-DI-PHENYLGLYCOURIL
Show more names
iphenyl-IODO-GEN IODINATION REAGENT1,3,4,6-TETRACHLORO-3-6-DIPHENYLGYLCOURIL1,3,4,6-tetrachloro-3α,6α-diphenylglycouril1,3,4,6-Tetrachloro-3α,6α-diphenylglycouril1,3,4,6-tetrachloro-3A,6A-*diphenylglycouril1,3,4,6-tetrachloro-3a,6a-diphenyl-glycoluri
NSC44621,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dioneMFCD000273671,3,4,6-Tetrachloro-3alpha,6alpha-diphenylglycouril1,3,4,6-tetrachloro-3alpha,6alpha-diphenylglycoluril1,3,4,6-tetrachloro-3a,6a-diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione1,3,4,6-tetrachloro-3a,6a-diphenyl-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dioneNSC 4462
Database identifiers
- CAS
51592-06-4- PubChem CID
- 40065
- DTXSID
DTXSID0068652- EC Number
- 623-398-3
- Nikkaji
- J3.096.459D、J75.760H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Melting point
- 249 · 249-252 °C
- Boiling point
- 510 · 510.0±60.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- -3.87 · -3.87±0.60(Predicted)
- color
- White
- InChI
- 1S/C16H10Cl4N4O2/c17-21-13(25)23(19)16(12-9-5-2-6-10-12)15(21,11-7-3-1-4-8-11)22(18)14(26)24(16)20/h1-10H
- InChIKey
- FJQZXCPWAGYPSD-UHFFFAOYSA-N
- SMILES
- ClN1C(=O)N(Cl)C2(N(Cl)C(=O)N(Cl)C12c3ccccc3)c4ccccc4
- EPA Substance Registry System
- 4 · Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,3,4,6-tetrachlorotetrahydro-3a,6a-diphenyl- (51592-06-4)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922390090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIodination reagent used in radioiodination acting as an oxidative agentReagent involved in comparison studies with chloramine-TReagent used for oxidation of urazoles
Suppliers
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Related reactions
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Compound notes
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