3-Iodoaniline

Base Information

• Chemical Name: 3-Iodoaniline
• CAS No.: 626-01-7
• Molecular Formula: C6H6IN
• Molecular Weight: 219.025
• Hs Code.: 29214210
• European Community (EC) Number: 210-922-7
• NSC Number: 34545
• DSSTox Substance ID: DTXSID4060812
• Nikkaji Number: J55.370K
• Wikidata: Q72483324
• Mol file: 626-01-7.mol

Synonyms:3-iodoaniline;o-iodoaniline

Chemical Property of 3-Iodoaniline

Chemical Property:

• Appearance/Colour: Clear colorless to yellow-brown low melting solid
• Vapor Pressure: 0.00639mmHg at 25°C
• Melting Point: 21-24 °C(lit.)
• Refractive Index: n20/D 1.682(lit.)
• Boiling Point: 271.6 °C at 760 mmHg
• PKA: 3.58(at 25℃)
• Flash Point: 124.5 °C
• PSA: 26.02000
• Density: 1.924 g/cm³
• LogP: 2.45460
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.95450
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Iodoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-37/38-36/37/38
• Safety Statements: 36/37-36/37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)N
• Uses: 3-Iodoanilineis used as Anilines, Aromatic Amines and Nitro Compounds.

Technology Process of 3-Iodoaniline

There total 18 articles about 3-Iodoaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

m-iodonitrobenzene (645-00-1) → 3-Iodoaniline (626-01-7)

Guidance literature:

With 1,10-Phenanthroline; hydrogen; In tetrahydrofuran; water; at 110 ℃; for 6h; under 37503.8 Torr;

DOI:10.1038/nchem.1645

Reference yield: 90.0%

m-iodonitrobenzene (645-00-1) → aniline (62-53-3) + 3-Iodoaniline (626-01-7)

Guidance literature:

With hydrazine hydrate; In toluene; at 100 ℃; for 10h; Inert atmosphere;

DOI:10.1002/adsc.201200330

Reference yield: 37.0%

C15H12I2N2 → (E)-3-(3-Iodo-phenylamino)-propenal (75696-60-5) + 3-Iodoaniline (626-01-7)

Guidance literature:

With water; sodium acetate; acetic acid; In ethanol; at 70 ℃; for 44h;

DOI:10.1248/cpb.28.2356

upstream raw materials:

m-iodonitrobenzene

2-nitro-aniline

3-Iodobenzoic acid

1-iodo-3-nitrosobenzene

Downstream raw materials:

benz[a]acridin-12-yl-(3-iodo-phenyl)-amine

3-(3-iodo-phenylimino)-indolin-2-one

N-(3-iodophenyl)acetamide

N-(3-iodophenyl)benzamide

Refernces

• 1、 Lu, Xionggang,Ren, Jiaan,Sheng, Yao,Wang, Xueguang,Wu, Baoqin,Zou, Xiujing. "Efficient and recyclable bimetallic Co–Cu catalysts for selective hydrogenation of halogenated nitroarenes". . . Retrieved 2021/12/20.
• 2、 Qu, Zhonghua,Chen, Xing,Zhong, Shuai,Deng, Guo-Jun,Huang, Huawen. "NaI/PPh3-Mediated Photochemical Reduction and Amination of Nitroarenes". supporting information. p. 5349 - 5353. Retrieved 2021/07/21.