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Basic Information
CAS No.: 7790-99-0
Name: Iodine monochloride
Molecular Structure:
Molecular Structure of 7790-99-0 (Iodine monochloride)
Formula: ClI
Molecular Weight: 162.358
Synonyms: Chlorineiodide;Chlorine iodide (ClI);Chlorine monoiodide;Iodine chloride;Iodinemonochloride;Iodine(I) chloride;Iodochlorine;Iodomonochloride;Iodoniumchloride;Wijs' chloride;Iodine chloride (ICl);
EINECS: 232-236-7
Density: 2.763 g/cm3
Melting Point: 25-27°C
Boiling Point: 97.4 °C at 760 mmHg
Flash Point: 96-98°C
Solubility: decomposes in water, soluble in alcohol, ether, acetic acid, and carbon disulfide
Appearance: dark red or brown solid and/or liquid
Hazard Symbols: CorrosiveC
Risk Codes: 42-35-10-40
Safety: 26-36/37/39-45-23
Transport Information: UN 1792 8/PG 2
PSA: 0.00000
LogP: 1.57520
Synthetic route

sodium chlorate

7553-56-2

iodine

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
With hydrogenchloride; sodium chloride In water at 25 - 27℃; for 19h;99.6%
With hydrogenchloride; sodium chloride In water at 20 - 50℃;
7553-56-2

iodine

7782-50-5

chlorine

A

7790-99-0

Iodine monochloride

B

865-44-1

iodine trichloride

Conditions
ConditionsYield
In neat (no solvent) passing dry chlorine over dry iodine;; distillation in stream of chlorine at 100-101.5°C;;A 85%
B n/a
In neat (no solvent) passing dry chlorine over dry iodine;; distillation at 100-101.5°C;;A 35%
B n/a
In neat (no solvent) excess of iodine;
In neat (no solvent)
7553-56-2

iodine

2782-57-2

1,3-dichloro-[1,3,5]triazinane-2,4,6-trione

A

108-80-5

cyanuric acid

B

27694-85-5

triiodoisocyanuric acid

C

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
absence of moist, 24h, 180-230°C, every 30 min ICl removed,; removing of (HNCO)3: sublimation (220-230°C, 0.1 Torr), purity >99;A n/a
B 75.6%
C n/a
594-04-7

dichloroiodomethane

A

74-87-3

methylene chloride

B

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
beim Erwaermen ueber den Zersetzungspunkt;
594-04-7

dichloroiodomethane

A

74-87-3

methylene chloride

B

7790-99-0

Iodine monochloride

7791-25-5

sulfuryl dichloride

7553-56-2

iodine

A

7790-99-0

Iodine monochloride

B

865-44-1

iodine trichloride

Conditions
ConditionsYield
In not given in presence of AlCl3;;
56-23-5

tetrachloromethane

7553-56-2

iodine

A

127-18-4

1,1,2,2-tetrachloroethylene

B

594-22-9

trichloroiodomethane

C

67-72-1

hexachloroethane

D

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
In tetrachloromethane other Radiation; γ-radiation of I2 soln. in CCl4; yield depends on concn. of I2 and on dose of radiation;;
56-23-5

tetrachloromethane

7553-56-2

iodine

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
In tetrachloromethane other Radiation; γ-radiation of I2 soln. in CCl4 saturated with air;;
7553-56-2

iodine

mercury dichloride

7790-99-0

Iodine monochloride

Conditions
ConditionsYield
In water
7553-56-2

iodine

mercury dichloride

A

7790-99-0

Iodine monochloride

B

mercury(II) iodide

Conditions
ConditionsYield
In water 6h heating to 250°C in sealed tube;;
In water 6h heating to 250°C in sealed tube;;
In not given at heating to 250°C in sealed tube; molar rate = 1:1;;
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive

Specification

This product is an organic compound with the formula ClI. The systematic name of this chemical is Iodine monochloride. It belongs to the product category of Inorganics. Its EINECS number is 232-236-7. With the CAS registry number 7790-99-0, it is also named as Iodochlorine. In addition, the molecular weight is 162.36. Its storage temperature is 2 - 8 °C. It is used as an iodine value determination regent. It is a useful reagent in organic synthesis, and it can also be used as strong oxidizing agents.

Physical properties of Iodine monochloride are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.19; (6)ACD/BCF (pH 7.4): 47.19; (7)#H bond acceptors: 0; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 19.86 cm3; (12)Molar Volume: 58.7 cm3; (13)Polarizability: 7.87×10-24cm3; (14)Surface Tension: 36.6 dyne/cm; (15)Density: 2.763 g/cm3; (16)Enthalpy of Vaporization: 36.62 kJ/mol; (17)Boiling Point: 97.4 °C at 760 mmHg; (18)Vapour Pressure: 31.4 mmHg at 25°C.

Preparation of Iodine monochloride: this reaction entails simply combining the halogens in a 1:1 molar ratio, according to the following equation. When chlorine gas is passed through iodine crystals, the brown vapor of iodine monochloride is observed. Dark brown iodine monochloride liquid is collected.

I2 + Cl2 → 2 ICl

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and can cause severe burns. It has a limited evidence of a carcinogenic effect and may cause sensitisation by inhalation. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClI
(2)Std. InChI: InChI=1S/ClI/c1-2
(3)Std. InChIKey: QZRGKCOWNLSUDK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 50mg/kg (50mg/kg)   Kodak Company Reports. Vol. 21MAY1971.
rat LDLo skin 500mg/kg (500mg/kg)   Kodak Company Reports. Vol. 21MAY1971.