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| CAS No.: | 540-37-4 |
|---|---|
| Name: | 4-Iodoaniline |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6IN |
| Molecular Weight: | 219.025 |
| 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; |
| EINECS: | 208-743-4 |
| Density: | 1.924 g/cm3 |
| Melting Point: | 61-63 °C(lit.) |
| Boiling Point: | 268.7 °C at 760 mmHg |
| Flash Point: | 116.3 °C |
| Solubility: | Slightly soluble in water.Soluble in chloroform, methanol. |
| Appearance: | beige to greyish-brown crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38-20/21/22 |
| Safety: | 26-36/37/39-36 |
| Transport Information: | UN 2811 |
| PSA: | 26.02000 |
| LogP: | 2.45460 |
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| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium iodide In water at 20℃; for 0.833333h; | 100% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
- 540-37-4
p-aminoiodobenzene
| Conditions | Yield |
|---|---|
| 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% |
- 540-37-4
p-aminoiodobenzene
| Conditions | Yield |
|---|---|
| With trimethyltin(IV) hydroxide In 1,2-dichloro-ethane at 60℃; Inert atmosphere; chemoselective reaction; | 93% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
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Consensus Reports
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. |