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5-BROMO-2-IODOANILINE

5-BROMO-2-IODOANILINE structure

CAS No:
64085-52-5
Formula:
C6H5BrIN
Chemical Name:
5-BROMO-2-IODOANILINE
Synonyms:
5-bromo-2-iodoaniline;BENZENAMINE, 5-BROMO-2-IODO-;5-BROMO-2-IODOBENZENAMINE;5-Bromo-2-iodo-phenylamine;PubChem5332;2-Iodo-5-bromoaniline;5-Bromo-2-iodophenylamine;ACMC-1B9X9;5-bromanyl-2-iodanyl-aniline;KSC493O7N
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-BROMO-2-IODOANILINE Basic Attributes

Molecular Weight：

297.91907

Exact Mass：

296.864990

DSSTox ID：

DTXSID60549965

HScode：

2921420090

Characteristics

PSA：

XLogP3：

2.6

Density：

2.3±0.1 g/cm3

Melting Point：

55 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))

Boiling Point：

309.5°C at 760 mmHg

Flash Point：

141.0±23.7 °C

Refractive Index：

1.715

Storage Conditions：

Refrigerated.

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-BROMO-2-IODOANILINE Use and Manufacturing

To a solution of 4-bromo-1-iodo-2-nitrobenzene (8.38 g, 109.6 mmol) in AcOH (45 mL) and EtOH(45 mL) at RT was added Fe (6.12 g, 109.6 mmol). The mixture was stirred at 100 °C for 1.3 h andcooled to RT. The reaction mixture was diluted with Et2O (90 mL) and washed with sat. aq. NaHCO3(200 mL). The organic layer was separated and the aqueous layer was extracted with Et2O (3 x 60 mL).The organic layers were combined, washed with brine (300 mL), dried over Na2SO4, and concentrated invacuo. The residue was purified by flash chromatography (silica gel, hexane/AcOEt = 19:1) to afford 5-bromo-2-iodoaniline 30b (6.89 g, 91percent yield) as a light yellow solid.To a solution of 4-bromo-1 -iodo-2-nitrobenzene (66 g, 0.2 mol) in MeOH (700 mL) was added stannous chloride (226 g, 1 mol) at 0 °C. The resultant mixture was heated to reflux (80 °C) for 4 h. The solvent was removed under reduced pressure, and then the residue was diluted with ethyl acetate (1 L), washed with H (30 g, 100 mmol) was added to a single round bottom flask (One neck r.b.f)(2, 4-dichlorophenyl) boronic acid (19.2 g, 100 mmol), Tetrakis (triphenylphosphine) palladium (0) (5.7 g, 5 mmol), A mixture of potassium carbonate (27.6 g, 200 mmol) and toluene / water (300 ml / 60 ml) was refluxed at 110 DEG C. Extracted with dichloromethane and dried over MgSO4.Column purification afforded compound 5-5-5. (25 g, 67percent).

Computed Properties

Molecular Weight:297.92
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:296.86501
Monoisotopic Mass:296.86501
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 5-BROMO-2-IODOANILINE

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5-Bromo-2-iodoaniline

CAS No.: 64085-52-5

Content: 99.00%

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Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
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5-BROMO-2-IODOANILINE

CAS No.: 64085-52-5

Grade: pharmaceutical grade

Content: 98%

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