iodochlorane

• ChemBase ID: 127833
• Molecular Formular: ClI
• Molecular Mass: 162.35747
• Monoisotopic Mass: 161.87332568
• SMILES: ClI
• Canonical SMILES: ClI
• InChI: InChI=1S/ClI/c1-2
• InChIKey: QZRGKCOWNLSUDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodochlorane
• IUPAC Systematic name: Chloroiodane
• IUPAC Traditional name: iodine monochloride
• Synonyms: Iodine monochloride, ACS; Iodine according to Wijs for the iodine value determination; Iodine monochloride solution; Wijs solution; Chloroiodide; Iodine monochloride; Chloroiodide solution; Wijs solution; Iodine monochloride solution; Iodine chloride; Iodine monochloride; Wijs' chloride; Iodine monochloride, approx. 0.22N soln. in glacial acetic acid; 单氯化碘; 单氯化碘, ACS; 一氯化碘 溶液; 根据 Wijs 方法测定碘值的碘溶液; 氯化碘 溶液; 氯化碘; 一氯化碘; 单氯化碘溶液; 氯化碘 溶液; 一氯化碘 溶液; 单氯化碘溶液

Database IDs

• CAS Number: 7790-99-0
• EC Number: 232-236-7
• MDL Number: MFCD00011354
• Beilstein Number: 3902972; 3587194
• Merck Index: 145017
• PubChem SID: 24865151; 162222151; 24861740; 24852499; 24857507; 24871766
• PubChem CID: 24640
• Chemspider ID: 23042
• MeSH Name: Iodine-monochloride
• Wikipedia Title: Iodine_monochloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2209004
• LogD (pH = 7.4): 1.2209004
• Log P: 1.2209004
• Molar Refractivity: 19.4771 cm^3
• Polarizability: 8.258989 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: hydrolysis in water; soluble in carbon disulfide; acetic acid; pyridine ; alcohol, ether, HCl; Soluble in water, alcohol, ether, carbon disulfide
• Apperance: Crystalline/Liquid; Liquid; red to brown liquid or solid
• Melting Point: 25-27°C; 27.2°C (α-form) ; 13.9 °C (β-form)
• Boiling Point: 96-98°C; 97.4 °C(lit.); 97.4°C (370.6 K)
• Flash Point: 104 °F; 105 °F; 40 °C; 41 °C
• Density: 1.143 g/mL at 25 °C; 1.42 g/mL at 25 °C; 3.10 g/cm^3; 3.182; 3.1822; 3.24 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Moisture & Light Sensitive
• RTECS: NN1650000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 1792; 2789; 2920; 3264; UN1792; UN2920
• German water hazard class: 2; 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-35; 10-35-42; 21/22-34; 34-40-42; 34-42
• Safety Statements: 20-23-26-36/37/39-45-60; 23.2-26-36/37/39-45; 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• Main Hazard: corrosive
• GHS Hazard statements: H226-H314; H314-H226-H312-H303; H314-H318-H302-H312; H314-H334; H314-H334-H351
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1792 8/PG 2; UN 2789 8/PG 2; UN 2920 8/PG 2; UN 3264 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95%; ≥98% (iodometric); 1.10±0.1 I/Cl ratio basis; 99.998% trace metals basis
• Concentration: 0.1 M ICl; 1 M in acetic acid; 1.0 M in methylene chloride
• Grade: ACS reagent; reagent grade
• Impurities: <20 ppm total metallic impurities; ≤0.005% insolubles; acetic acid
• Quality: volumetric
• Linear Formula: ICl

DETAILS

Sigma Aldrich - 714836

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 481556

Features and Benefits
Meets A.C.S. reagent specifications.
Packaging
5, 25 g in glass bottle

Sigma Aldrich - 35071

Caution
Storage is limited
General description
Visit our Titration Center to learn more.

Sigma Aldrich - 208221

Packaging
5, 100, 250 g in glass bottle

Sigma Aldrich - 34-0015

Suitability
for the iodine value determination

Sigma Aldrich - 402990

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 291048

Packaging
100, 800 mL in Sure/Seal™

REFERENCES

• More powerful electrophilic iodinating agent than iodine e.g. for aromatic substitution. For examples of its use in AcOH for aromatic iodination, see: Org. Synth. Coll., 2, 196, 343 (1943).
• The 1:1 complex with pyridine has been recommended as a mild and efficient iodinating agent for a wide range aromatic compounds: J. Chem. Res., 405 (1994). Condensed polycyclic iodides which cannot readily be prepared by direct iodination methods are formed by reaction of the same complex with the organomercurials: J. Chem. Res. (Synop.), 405 (1995).
• For use in combination with NaN₃ for the iodoazidation of an olefin, see: Org. Synth. Coll., 6, 893 (1988).
• Reacts with Benzyltrimethylammonium chloride, A16759 to form benzyltrimethylammonium dichloroiodide, a useful reagent for the iodination of phenols: Chem. Lett., 2109 (1987).