4-BROMO-2-IODOANILINE

Product Name4-BROMO-2-IODOANILINE
CAS66416-72-6
MFC6H5BrIN
MW297.92
EINECS
MOL File66416-72-6.mol

Chemical Properties

Melting point	69-72 °C(lit.)
Boiling point	297.9±30.0 °C(Predicted)
Density	2.292±0.06 g/cm3(Predicted)
storage temp.	Keep in dark place,Inert atmosphere,2-8°C
solubility	soluble in Methanol
form	Powder
pka	1.83±0.10(Predicted)
color	Gray to purple
InChI	InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey	HHTYEQWCHQEJNV-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(Br)C=C1I
CAS DataBase Reference	66416-72-6(CAS DataBase Reference)

Safety Information

Hazard Codes	T,N,Xi
Risk Statements	25-37/38-41-51/53
Safety Statements	26-36/37/39-45-61
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
Hazard Note	Irritant
HazardClass	6.1
PackingGroup	Ⅲ
HS Code	29214200
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Chemical Properties

Grey to purple powder

Uses

4-Bromo-2-iodoaniline may be used in the following:

Preparation of quinolone derivatives.
Synthesis of a resin-bound sulfonamide, which was used as a starting material for the preparation of 2,3,5-trisubstituted indoles.

General Description

4-Bromo-2-iodoaniline is a 2-iodoaniline derivative. It can be prepared by reacting 4-bromoaniline with iodine.

Synthesis

106-40-1

66416-72-6

General procedure: Iodination of aryl amines was carried out under solvent-free conditions. DBDABCODCI (0.5 mmol) was co-milled with 4-bromoaniline (1 mmol) in a porcelain mortar at room temperature. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, ethyl acetate was added to the mixture and subsequently filtered. The organic layer was washed with 5% aqueous sodium thiosulfate and dried with anhydrous magnesium sulfate. The solvent was removed under reduced pressure and the resulting crude product was purified by column chromatography, the eluent being a solvent mixture of ethyl acetate and hexane. The purified product was characterized by melting point determination and 1H NMR spectroscopy.

References

[1] Bulletin of the Chemical Society of Japan, 1988, vol. 61, # 2, p. 600 - 602
[2] Bulletin of the Chemical Society of Ethiopia, 2015, vol. 29, # 1, p. 157 - 162
[3] RSC Advances, 2018, vol. 8, # 54, p. 30761 - 30776
[4] Synthesis, 2008, # 13, p. 2039 - 2044
[5] Patent: US9212182, 2015, B2. Location in patent: Page/Page column 198; 199

4-BROMO-2-IODOANILINE

Chemical Properties

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MSDS

Usage And Synthesis

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