ChemicalBook--->CAS DataBase List--->66416-72-6

66416-72-6

66416-72-6 Structure

66416-72-6 Structure
IdentificationMore
[Name]

4-BROMO-2-IODOANILINE
[CAS]

66416-72-6
[Synonyms]

AKOS BB-7878
ASISCHEM T54343
4-BROMO-2-IODOANILINE
4-Bromo-2-iodoaniline,97%
4-Bromo-2-iodoaniline >
4-Bromo-2-iodoaniline 97%
4-bromo-2-iodo-benzenamine
4-BROMO-2-IODO-PHENYLAMINE
BenzenaMine, 4-broMo-2-iodo-
4-BROMO-2-IODOANILINE ISO 9001:2015 REACH
[Molecular Formula]

C6H5BrIN
[MDL Number]

MFCD02093764
[Molecular Weight]

297.92
[MOL File]

66416-72-6.mol
Chemical PropertiesBack Directory
[Appearance]

Grey to purple powder
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H318-H335-H411
[Precautionary statements ]

P273-P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

T,N,Xi
[Risk Statements ]

R25:Toxic if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[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
Hazard InformationBack Directory
[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]

4-Bromoaniline

106-40-1

4-BROMO-2-IODOANILINE

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-2-IODOANILINE(66416-72-6)1HNMR
4-BROMO-2-IODOANILINE(66416-72-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromo-2-iodoaniline, 97%(66416-72-6)
[TCI AMERICA]

4-Bromo-2-iodoaniline,>97.0%(GC)(T)(66416-72-6)
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