diiodane

• ChemBase ID: 103327
• Molecular Formular: I2
• Molecular Mass: 253.80894
• Monoisotopic Mass: 253.808946
• SMILES: II
• Canonical SMILES: II
• InChI: InChI=1S/I2/c1-2
• InChIKey: PNDPGZBMCMUPRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodane
• IUPAC Traditional name: iodine
• Synonyms: Iodide Iodate solution; Iodine solution; Iodine Solution (0.02M in THF/pyridine/H2O 70:20:10); Iodine Solution (0.1M in THF/pyridine/H2O 78:20:2); Iodine Solution (0.05M in THF/H2O/pyridine 70:20:10); Iodine solution; Iodine Solution (0.02M in THF/pyridine/H2O 89.6:0.4:10); Iodine, 1.0N Standardized Solution; Iodine, 0.1N Standardized Solution; Iodine, 0.01N Standardized Solution; Iodine spheres, ultra dry, -10 mesh; Iodine, crystalline; Iodine, resublimed crystals, Puratronic®; Iodum; IODINE; IODINE, ACS; Iodine; Iodine concentrate; Iodide Iodate solution; Iodide Iodate concentrate; Iodine, resublimed crystals, ACS; 碘化物碘酸盐 溶液; 碘 溶液; 碘溶液（0.02M，溶液组成为 THF:吡啶:H2O = 70:20:10）; 碘溶液（0.1M，溶液组成为 THF:吡啶:H2O = 78:20:2）; 碘溶液（0.05M，溶液组成为 THF:H2O:吡啶 = 70:20:10）; 碘 溶液; 碘溶液（0.02M，溶液组成为 THF:吡啶:H2O = 89.6:0.4:10）; 碘, 1.0N 标准溶液; 碘, 0.1N 标准溶液; 碘, 0.01N 标准溶液; 碘球状, 超干, -10 目; 碘, 晶体; 碘, 再度升华晶体, Puratronic®; 碘; 碘; 碘 (I2) 0.25mol; 碘, 再升华晶体, ACS

Database IDs

• CAS Number: 153507-24-5; 7553-56-2
• EC Number: 231-442-4; 231-791-2
• MDL Number: MFCD00011355
• Beilstein Number: 3587194
• PubChem SID: 24879789; 24858883; 24863451; 24868599; 24863758; 24858882; 24861743; 24845500; 24858291; 24881759; 24863756; 24856141; 24896032; 24863753; 24865312; 24859565; 24853298; 24861742; 24880866; 24863754; 24852469; 24845415; 24861744; 162091283
• PubChem CID: 807

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3582107
• LogD (pH = 7.4): 1.3582107
• Log P: 1.3582107
• Molar Refractivity: 26.6816 cm^3
• Polarizability: 11.848167 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Ampouled under argon; beads; chips; Dark Grey/purple prills or crystals; Liquid; particles (round); solid; Solid
• Melting Point: 113 °C(lit.); 114 °C (236 °F); 183-186°C subl.
• Boiling Point: 184 °C (363 °F); 184 °C(lit.)
• Flash Point: <10 °C; <50 °F
• Density: ~1.00 g/mL at 20 °C; 0.91 g/mL at 20 °C; 0.93 g/mL at 20 °C; 0.95 g/mL at 20 °C; 1.03 g/mL at 25 °C; 1.034 g/mL at 25 °C; 1.32 g/mL at 25 °C; 4.93 (water = 1); 4.930
• Vapor Pressure: 0.3 mm Hg at 20 °C, 1mm Hg at 38.7 °C (solid); 0.31 mmHg ( 25 °C); 1 mmHg ( 38.7 °C)
• Vapor Density: 8.75 (air = 1); 9 (vs air)
• Resistivity: 1.3E15 μΩ-cm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: NN1575000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1759; 1993; 2056; UN3264; UN3495
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 8
• Packing Group: 2; II; III
• Australian Hazchem: 2X
• Risk Statements: 11-19-20/21/22-36/37; 11-19-36/37; 20/21/22-36/38; 20/21-34-50; 20/21-50; 22-36/38; 36/38; R:20/21-50
• Safety Statements: 16-26; 16-26-36/37; 23-25-61; 26; 26-36/37; 9-25-26-36/37/39-45-61; S:23-25-61
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H319-H335; H302-H315-H319-H331; H311-H332-H314-H318-H400; H312-H332-H400; H315-H319; H332; H333; H400-H312-H332
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P302+P352-P304+P340-P322-P501A; P261-P305 + P351 + P338-P311; P273-P280; P304+P312; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, Gloves, Goggles
• RID/ADR: UN 1759 8/PG 2; UN 1993 3/PG 2; UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥99.5%; ~99%; ≥99%; ≥99.0%; ≥99.5% (RT); ≥99.8%; ≥99.8% (RT); ≥99.8% (titration); ≥99.8% solids basis; ≥99.99% trace metals basis; 99.7% trace metals basis; 99.8%; 99.8-100.5%; 99.99+% (metals basis); 99.998% (metals basis); 99.9985% (metals basis); 99.999%; 99.999% trace metals basis
• Concentration: 0.005 M I2 (0.01N); 0.0241 M I2 (0.0482N); 0.025 M I2 (0.05N); 0.05 M; 0.05 M I2 (0.1 N); 0.05 M I2 (0.1N); 0.25 M I2 (0.5 N); 0.5 M; 0.5 M I2 (1.0N); 1 N; 1/10 N; 1/100 N; 1/128 M I2 (1/64N); 1/64 M I2 (1/32N); 5 mM
• Grade: ACS; ACS reagent; anhydrous; for DNA synthesis; JIS special grade; Ph Eur; puriss.; puriss. p.a.; purum p.a.; Reag. Ph. Eur.; REAGENT; ReagentPlus®; SAJ first grade
• Particle Size: -10 mesh; 1-3 mm; -60 mesh
• Packaging: pkg of 0.005 mol I2 (Iodate, 0.3567 g KIO3 + 3.6 g KI); pkg of 0.05 mol I2 (12.690 g I2 + 20 g KI); pkg of 0.05 mol I2 (Iodate, 3.5667 g KIO3 + 35.6 g KI); pkg of 1/128 mol (Iodate, 0.5573 g KIO3 + 5.6 g KI)
• Suitability: meets USP testing specifications
• Impurities: ≤0.005% bromine and chlorine (as chloride); ≤0.005% Chlorine and bromine; ≤0.01% Nonvolatile matter; ≤0.01% non-volatile matter; ≤0.01% non-volatile substances (105°C); ≤0.01% nonvolatiles; ≤0.03% non-volatile matter; ≤0.05% nonvolatile matter; ≤0.05% Nonvolatile residue; residual solvents, in accordance
• Cation Traces: Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: bromide, chloride (as Cl-): ≤100 mg/kg; chloride, bromide (as Cl)-: ≤0.028%; chlorine and bromine (as Cl-): ≤200 mg/kg; chlorine and bromine (as Cl-): ≤50 mg/kg; Cl- and Br-: ≤0.005%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Shelf Life: (limited shelf life); (limited shelf life, expiry on the label)
• Purified By: resublimation
• Quality: (63,45 g I2 + 100 g KI); for 1L standard solution; meets analytical specification of Ph. Eur., BP, USP; volumetric
• Factor: 1.000 ±0.001; 1.000 ±0.2%; 1.000 ±1 R%
• Diameter: 1-2 mm
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• calibrated against: L(+)-ascorbic acid
• Empirical Formula (Hill Notation): I2

DETAILS

MP Biomedicals - 02151346

Purity: ~99%

MP Biomedicals - 02152531

ACS Reagent Grade
Purity: ≥99.5%

Sigma Aldrich - 229695

Packaging
20, 100 g in glass bottle

Sigma Aldrich - 326143

Packaging
10, 100 g in glass bottle

Sigma Aldrich - 451037

Packaging
25 g in ampule

Sigma Aldrich - 451045

Packaging
5, 25, 100 g in ampule

Sigma Aldrich - 35090

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 38061

General description
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concentration after dilution to 1L: 0.05mol/L (0.1N); amount of substance 0.05mol (I2: 3.5667 g KIO3 + 35.6 g KI)

Sigma Aldrich - 38065

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.005mol/L (0.01N); amount of substance 0.005mol (I2: 0.3567 g KIO3 + 3.6 g KI)

Sigma Aldrich - 59923

Application
suitable for the use on ABI, Beckmann Synthesizers
General description
Oxidizing solution in the phosphote amide triester method of oligonucleotide synthesis
Preparation Note
filtered with a 0.1 μm filter

Sigma Aldrich - 31085

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 319007

General description
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Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 35003

General description
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Sigma Aldrich - 59957

Application
suitable for the use on Biosearch 8000, Expedite, Cyclone Synthesizers
General description
Oxidizing solution in the phosphote amide triester method of oligonucleotide synthesis
Preparation Note
filtered with a 0.1 μm filter

Sigma Aldrich - 55905

Application
suitable for the use on Milligen 7500 Synthesizers
General description
Oxidizing solution in the phosphote amide triester method of oligonucleotide synthesis
Preparation Note
filtered with a 0.1 μm filter

Sigma Aldrich - 376558

Packaging
12 kg in fiber drum
50, 500 g in glass bottle
2.5 kg in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 35089

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 59706

Application
suitable for the use on ABI Synthesizers
General description
Oxidizing solution in the phosphite amide triester method of oligonucleotide synthesis
Preparation Note
filtered with a 0.1 μm filter

Sigma Aldrich - 38060

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.05mol/L (0.1N); amount of substance 0.05mol (I2: 12.690 g I2 + 20 g KI)
Packaging
glass ampoule

Sigma Aldrich - 57650

Other Notes
For the iodination of tyrosyl residues in proteins1

Sigma Aldrich - 38064

General description
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concentration after dilution to 1L: 1/128mol/L (1/64N); amount of substance 1/128mol (Iodate: 0.5573 g KIO3 + 5.6 g KI)

Sigma Aldrich - 38084

General description
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concentration after dilution to 1L: 0.25mol/L (0.5N); amount of substance 0.25mol (63.45 g I2 + 100 g KI)

Sigma Aldrich - 266426

Packaging
1 kg in glass bottle
250 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 318981

General description
Visit our Titration Center to learn more.
Packaging
100, 500 mL in glass bottle

Sigma Aldrich - 405353

General description
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Packaging
100, 500 mL in glass bottle

Sigma Aldrich - I3380

包装
1 kg in glass bottle
50, 100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 207772

Packaging
1, 2.5 kg in glass bottle
12 kg in steel drum
5, 100, 500, 6×500 g in glass bottle