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7553-56-2

Basic Information
CAS No.: 7553-56-2
Name: Iodine
Article Data: 2682
Cas Database
Molecular Structure:
Molecular Structure of 7553-56-2 (Iodine)
Formula: I2
Molecular Weight: 253.809
Synonyms: 7553-56-2
EINECS: 231-442-4
Density: 3.835 g/cm3
Melting Point: 113 °C(lit.)
Boiling Point: 184.35 °C at 760 mmHg
Flash Point: N/A
Solubility: 0.3 g/L (20 °C) in water
Appearance: Grey to purple solid
Hazard Symbols: HarmfulXn, DangerousN
Risk Codes: 36/37/38-50-20/21
Safety: 26-61-25-23
Transport Information: UN 2056 3/PG 2
PSA: 0.00000
LogP: 1.77140
Synthetic route
7681-82-5

sodium iodide

7553-56-2

iodine

Conditions
ConditionsYield
With phosgene In acetone at 20℃; for 0.25h; Reagent/catalyst;100%
With Fe3+-montmorillonite; propionic acid at 25℃; for 6h;
With propionic acid; K 10-montmorillonite; FeCl3; mixture of, dried at 120 degrees C, grounded at 25℃; for 6h;
10034-85-2

hydrogen iodide

A

1333-74-0

hydrogen

B

7553-56-2

iodine

Conditions
ConditionsYield
Kinetics; Irradiation (UV/VIS); in glass vessel or uviol vessel, wavelenght higher than 2540Å;;A 100%
B 100%
Kinetics; Irradiation (UV/VIS); at room temperature, in quartz vessel; equilibrium; wavelenght lower than 2540Å;;A 92.3%
B 92.3%
995 °C; part of a Mg-S-I water splitting cycle;A 31%
B 31%
12793-14-5

niobocene dichloride

59555-19-0

triiodo hexafluoroarsenate

A

(η5-C5H5)2niobium(V)(Cl2) hexafluoroarsenate

B

7553-56-2

iodine

Conditions
ConditionsYield
In liquid sulphur dioxide under Ar; recrystn. (SO2), elem. anal.;A 99%
B n/a

molybdenum(VI) oxide

magnesium iodide

A

magnesium oxide * molybdenum dioxide

B

7553-56-2

iodine

C

magnesium oxide

Conditions
ConditionsYield
In neat (no solvent, solid phase) vac.; equimolar ratio, heating (200°C 20 d, 800°C 30 d); XRD;A n/a
B 98.5%
C n/a

bis(pyridine)iodine(I) tetrachloroplatinate(II)

A

{Pt(pyridinium)2Cl4}

B

7553-56-2

iodine

Conditions
ConditionsYield
In neat (no solvent, solid phase) byproducts: pyridine; heated at 130°C; washed with acetone-water (5:1), dried in vac.; elem. anal.;A 94%
B 96.5%
28752-21-8

dimethoxy disulfide

A

7553-56-2

iodine

B

7704-34-9

sulfur

Conditions
ConditionsYield
With hydrogenchloride byproducts: H2O, H2S, SO2; in presence of KI;A 90%
B n/a
With HCl byproducts: H2O, H2S, SO2; in presence of KI;A 90%
B n/a

bis(pyridine)iodine(I) tetrabromoplatinate(II)

B

7553-56-2

iodine

Conditions
ConditionsYield
In neat (no solvent, solid phase) byproducts: pyridine; heated at 120°C; washed with acetone-water (5:1), dried in vac.; elem. anal.;A 85%
B 72.7%
Conditions
ConditionsYield
With ammonium peroxosulfate; iron(III) In hydrogenchloride byproducts: SO4(2-); Irradiation (UV/VIS); at 22°C with UV irradiation for 15 min; subsequent stirring in daylight for 20 min; mechanism discussed;;80.2%
With ammonium peroxosulfate; iron(III) In hydrogenchloride byproducts: SO4(2-); at 22°C in daylight for 35 min;;73.9%
With ammonium peroxosulfate; iron(III) In hydrogenchloride byproducts: SO4(2-); at 22°C in the dark for 15 min; subsequent stirring in daylight for 20 min;;69.6%

bismuth (III) nitrate pentahydrate

7782-68-5

iodic acid

A

2Bi(3+)*IO4(3-)*3IO3(1-)=Bi2(IO4)(IO3)3

B

7553-56-2

iodine

Conditions
ConditionsYield
With HNO3 or I2O5 or H5IO6 In water High Pressure; mixt. of Bi compd., HIO3, HNO3 (or I2O5 or H5IO6) and H2O was sealed in autoclave; heated to 215°C; held for 5 d; cooled at rate 10°C/h to room temp.; decanted; washed (EtOH, H2O); air-dried;A 75%
B n/a

C8H7ClN4O

17875-18-2

but-3-en-1-amine hydrochloride

7553-56-2

iodine

Conditions
ConditionsYield
With triethylamine In ethanol for 4h;74%
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History

 Iodine was discovered by Bernard Courtois in 1811. Charles Bernard Desormes (1777–1862) and Nicolas Clément (1779–1841), to continue research. He also gave some of the substance to Joseph Louis Gay-Lussac (1778–1850), a well-known chemist at that time, and to physicist André-Marie Ampère (1775–1836). On 29 November 1813, Dersormes and Clément made public Courtois’s discovery. On December 6, Gay-Lussac announced that the new substance was either an element or a compound of oxygen. Ampère had given some of his sample to Humphry Davy (1778–1829). Davy did some experiments on the substance and noted its similarity to chlorine. Davy sent a letter dated December 10 to the Royal Society of London stating that he had identified a new element. element.

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: CL 0.1 ppm
ACGIH TLV: CL 0.1 ppm
DFG MAK: 0.1 ppm (1.1 mg/m3)

Analytical Methods

For occupational chemical analysis use OSHA: #ID-177 or NIOSH: Iodine, 6005.

Specification

Iodine (CAS NO.7553-56-2), its Synonyms are Actomar; Diiodine; Eranol; Ethanolic solution of iodine; Iodine Tincture. It is violet-black crystals with a metallic luster and a sharp odor. It forms compounds with most elements, but is less reactive than the other halogens, which displace it from iodides. Iodine exhibits some metallic-like properties. It dissolves readily in chloroform, carbon tetrachloride, or carbon disulphide to form beautiful purple solutions. It is only slightly soluble in water. Iodine compounds are important in organic chemistry and very useful in medicine and photography.

Physical properties about Iodine are: 
(1)ACD/LogP: 2.064; (2)ACD/LogD (pH 5.5): 2.06; (3)ACD/LogD (pH 7.4): 2.06; (4)ACD/BCF (pH 5.5): 21.82; (5)ACD/BCF (pH 7.4): 21.82; (6)Index of Refraction: 1.788 ; (7)Molar Refractivity: 27.988 cm3; (8)Molar Volume: 66.188 cm3; (9)Polarizability: 11.095 10-24cm3; (10)Surface Tension: 54.8499984741211 dyne/cm; (11)Density: 3.835 g/cm3 ; (12)Enthalpy of Vaporization: 41.57 kJ/mol; (13)Boiling Point: 184.35 °C at 760 mmHg; (14)Vapour Pressure: 0.490000009536743 mmHg at 25°C

Preparation of Iodine: 
Iodine can be produced from iodates:
IO3- + 3SO2 + 3H2O → I- + 3SO42- + 6H-
IO3- + I- + 6H+ → 3I2 + 3H2O
Iodine can also be produced from brine. This process consists of cleaning the solution (of clays and other materials), adding sulfuric acid to a pH <2.5 followed by treatment with gaseous chlorine:
2I- + Cl2 → I2 + 2Cl-
after which the Iodine is recovered by a countercurrent air blow out step. process.

Uses of Iodine:
Iodine (CAS NO.7553-56-2) is used for the manufacture of organic compounds, for the manufacture of potassium iodide and sodium iodide, and for the manufacture of other inorganic compounds. Iodine is used as a catalyst in the chlorination of organic compounds and in analytical chemistry for determination of the iodine numbers of oils. Iodine for medicinal, photographic, and pharmaceutical purposes is usually in the form of alkali iodides, prepared through the agency of ferrous iodide. It is also used for the manufacture of dyes and as a germicide. Simple iodine derivatives of hydrocarbons, such as iodoform (CHI3), have an antiseptic action. Organic compounds containing iodine have been used as rubber emulsifiers, chemical antioxidants, and dyes and pigments.

Safety information of Iodine:
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Avoid release to the environment. Refer to special instructions safety data sheet;
3. Avoid contact with eyes;
4. Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer);

You can still convert the following datas into molecular structure:
(1)InChI=1S/I2/c1-2;
(2)InChIKey=PNDPGZBMCMUPRI-UHFFFAOYSA-N;
(3)SmilesII

The toxicity data of Iodine is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 40mg/kg (40mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959.
dog LDLo oral 800mg/kg (800mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
human LDLo oral 28mg/kg (28mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: OTHER CHANGES
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 330, 1969.
man LDLo unreported 29mg/kg (29mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 oral 22gm/kg (22000mg/kg)   Drugs of the Future. Vol. 4, Pg. 876, 1979.
mouse LD50 subcutaneous > 8650mg/kg (8650mg/kg)   Drugs in Japan Vol. -, Pg. 1226, 1990.
rabbit LD50 oral 10gm/kg (10000mg/kg)   Drugs of the Future. Vol. 4, Pg. 876, 1979.
rabbit LDLo subcutaneous 175mg/kg (175mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959.
rat LCLo inhalation 137ppm/1H (137ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0555278,
rat LD50 oral 14gm/kg (14000mg/kg)   Drugs of the Future. Vol. 4, Pg. 876, 1979.
rat LD50 subcutaneous 10500mg/kg (10500mg/kg)   Drugs in Japan Vol. -, Pg. 1226, 1990.
women TDLo oral 26mg/kg/1Y-I (26mg/kg) ENDOCRINE: EVIDENCE OF THYROID HYPERFUNCTION Postgraduate Medical Journal. Vol. 62, Pg. 661, 1986.