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4-Iodoaniline
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Name

4-Iodoaniline

 EINECS 208-743-4
CAS No. 540-37-4 Density 1.924 g/cm3
PSA 26.02000 LogP 2.45460
Solubility Slightly soluble in water.Soluble in chloroform, methanol. Melting Point 61-63 °C(lit.)
Formula C6H6IN Boiling Point 268.7 °C at 760 mmHg
Molecular Weight 219.025 Flash Point 116.3 °C
Transport Information UN 2811 Appearance beige to greyish-brown crystalline powder
Safety 26-36/37/39-36 Risk Codes 22-36/37/38-20/21/22
Molecular Structure Molecular Structure of 540-37-4 (4-Iodoaniline) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Aniline,p-iodo- (6CI,8CI);1-Iodo-4-aminobenzene;4-Iodobenzenamine;4-Iodobenzeneamine;4-Iodophenylamine;NSC 9246;p-Aminoiodobenzene;p-Aminophenyl iodide;p-Iodoaniline;4-Iodo-phenylamine;4-Iodoaniline;

Article Data 298

4-Iodoaniline Synthetic route

636-98-6

p-nitrobenzene iodide

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With hydrazine hydrate In methanol at 26℃; for 0.166667h; Reagent/catalyst; Solvent;100%
With cadmium sulphide; ammonium formate In water at 20℃; for 20h; Inert atmosphere; Irradiation; Sealed tube;100%
With magnesium; nickel dichloride In water at 20℃; for 12h; Sealed tube; Photolysis; Inert atmosphere;100%
1059625-65-8

4-aminobenzenediazonium 4-methylbenzenesulfonate

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With potassium iodide In water at 20℃; for 0.833333h;100%
62-53-3

aniline

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With tetramethylammonium dibromoiodate(I) at 20℃; for 0.0833333h;99%
With iodine at 30℃; for 12h; Reagent/catalyst; Solvent; Green chemistry; regioselective reaction;97%
With sulfuric acid; dihydrogen peroxide; potassium iodide In methanol at 20℃; for 4h;96%
106-50-3

1,4-phenylenediamine

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
Stage #1: 1,4-phenylenediamine With toluene-4-sulfonic acid In water at 20℃;
Stage #2: With potassium iodide In water at 20℃; for 1.5h;		98%
53694-87-4

1-azido-4-iodo-benzene

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 20℃; chemoselective reaction;96%
With methanol; samarium; iodine for 6h; Ambient temperature;91%
Stage #1: 1-azido-4-iodo-benzene With hydrazine hydrate for 0.166667h; Inert atmosphere;
Stage #2: for 12h; Irradiation; chemoselective reaction;		90%
1601-97-4, 21650-53-3

bis-(4-iodo-phenyl)-diazene

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With polystyrene-CH2-NH3(+)HCO2(-); magnesium In methanol at 20℃; for 0.2h;96%
With aminomethyl polystyrene resin formic acid salt; zinc In methanol at 20℃; for 0.2h;95%
With aminomethylpolystyrene-supported formate; palladium on activated charcoal In methanol at 20℃; for 2.5h;95%
With perchloric acid In isopropyl alcohol; acetonitrile at 25℃; for 0.75h; pH=2; Inert atmosphere; Irradiation;86%

2-oxo-2-phenylethyl (4-iodophenyl)carbamate

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 2.5h; Sealed tube; Irradiation; Inert atmosphere;93%

2,2,2-trichloroethyl (4-iodophenyl)carbamate

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With trimethyltin(IV) hydroxide In 1,2-dichloro-ethane at 60℃; Inert atmosphere; chemoselective reaction;93%
106-40-1

4-bromo-aniline

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With copper(I) oxide; L-proline; potassium iodide In ethanol at 110℃; for 30h; Schlenk technique; Inert atmosphere; Sealed tube;90%
68120-56-9, 104013-25-4, 53207-29-7

1-(4-iodophenyl)ethanol

540-37-4

p-aminoiodobenzene

Conditions
ConditionsYield
With sodium azide; methanesulfonic acid; trifluoroacetic acid In hexane at 40℃; for 4h; Sealed tube;90%
With sodium azide; methanesulfonic acid; trifluoroacetic acid In hexane at 40℃; for 4h; Reagent/catalyst;90%

4-Iodoaniline Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

4-Iodoaniline Specification

4-Iodoaniline appears like White to off-white crystals, and has melting point of 54-56°C. 4-Iodoaniline has a CAS No 540-37-4 and has Molecular Formula C6H6NI. Its Molecular weight is 219.04. It is soluble Methanol. It is also called BENZENAMINE, 4-IODO-; 1-amino-4-iodobenzene; P-IODOANILINE; 4-iodo-anilin; 4-iodo-benzenamin; 4-iodobenzenamine; 4-iodo-Benzenamine. 4-Iodoaniline is used in wide range of medicals industrial applocations as well as in human and animal nutrition products such as antiseptics and disinfectants, pharmaceutical intermediates, polarizing films for liquid crystal display [LCD] chemicals. Iodine derivatives are also used as organic building blocks, analytical reagents etc.

Physical properties about 4-Iodoaniline are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.33; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 34.65; (5)ACD/BCF (pH 7.4): 35.34; (6)ACD/KOC (pH 5.5): 437.74; (7)ACD/KOC (pH 7.4): 446.53; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 43.396 cm3; (13)Molar Volume: 113.787 cm3; (14)Polarizability: 17.203 10-24cm3; (15)Surface Tension: 54.185001373291 dyne/cm ; (16)Density: 1.925 g/cm3; (17)Flash Point: 116.295 °C; (18)Enthalpy of Vaporization: 50.677 kJ/mol; (19)Boiling Point: 268.682 °C at 760 mmHg; (20)Vapour Pressure: 0.00800000037997961 mmHg at 25°C

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. Wear suitable protective clothing, gloves and eye/face protection;
3. Wear suitable protective clothing;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2;
(2)InChIKey=VLVCDUSVTXIWGW-UHFFFAOYSA-N;
(3)Smilesc1(ccc(I)cc1)N;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LD50 oral 523mg/kg (523mg/kg)   Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978.
rat LDLo unreported 500mg/kg (500mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 142, 1952.

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