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7-BROMO-4-FLUOROINDOLE

7-BROMO-4-FLUOROINDOLE structure

CAS No:
292636-09-0
Formula:
C8H5BrFN
Chemical Name:
7-BROMO-4-FLUOROINDOLE
Synonyms:
7-bromo-4-fluoro-1H-indole;7-BROMO-4-FLUOROINDOLE;1H-Indole, 7-bromo-4-fluoro-;4-FLUORO-7-BROMOINDOLE;PubChem14798;SCHEMBL620047;1H-Indole,7-bromo-4-fluoro-;CTK4G3030;ABLOCK AB-12-9428;7-bromanyl-4-fluoranyl-1H-indole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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7-BROMO-4-FLUOROINDOLE Basic Attributes

Molecular Weight：

214.03

Exact Mass：

212.958939

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

2.8

Density：

1.8±0.1 g/cm3

Boiling Point：

314.2°C at 760 mmHg

Flash Point：

143.8±22.3 °C

Refractive Index：

1.680

Vapor Pressure：

0.000874mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

7-BROMO-4-FLUOROINDOLE Use and Manufacturing

Preparation of 4-fluoro-1H-indole-7-carboxylic acid; 1.12 g (5 mmol) of 2-bromo-5-fluoro-nitrobenzene were dissolved in 50 ml THF. At a temperature of -45° C. 15 ml of a 1M vinyl magnesium bromide solution in THF were added under nitrogen in such a way that the temperature did not exceed -40° C. After complete addition the dark solution was stirred for 30 min at -40° C. The reaction mixture was quenched with 10 ml aqueous saturated ammonium chloride solution and extracted twice with diethyl ether. The combined organic layers were washed once with saturated aqueous sodium chloride solution, dried over sodium sulfate, filtered and the solvent was evaporated. The residue was dissolved in DCM and purified by column chromatography (100 g silica gel; heptane/EtOAc 9:1) to yield 501 mg (47percent) 7-bromo-4-fluoro-1H-indole as an orange oil. MS (EI) 213.0 (100), 215.0 (100) (M)Intermediate 120: 7-Bromo-4-fluoro-1 H-indole.A solution of 1-bromo-4-fluoro-2-nitrobenzene (3.6 g, 16.4 mmol) in THF (100 ml.) was added to a solution of 1 M vinylmagnesium bromide in THF (100 ml_, 100 mmol) and DME (100 ml.) at -78

Computed Properties

Molecular Weight:214.03
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:212.95894
Monoisotopic Mass:212.95894
Topological Polar Surface Area:15.8
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 292636-09-0

Grade: Industrial Grade

Content: 99%

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