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Sigma-Aldrich

4-Bromo-3-nitroanisole

97%

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About This Item

Linear Formula:
BrC6H3(NO2)OCH3
CAS Number:
Molecular Weight:
232.03
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

solid

bp

153-154 °C/13 mmHg (lit.)

mp

32-34 °C (lit.)

SMILES string

COc1ccc(Br)c(c1)[N+]([O-])=O

InChI

1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChI key

KCOBIBRGPCFIGF-UHFFFAOYSA-N

Related Categories

General description

FT-IR and FT-Raman spectra of 4-bromo-3-nitroanisole have been studied.

Application

4-Bromo-3-nitroanisole was used in the synthesis of:
  • 4-bromo-5-methoxyaniline
  • 2-(4-methoxy-2-nitrophenylsulfanyl)benzoic acid
  • 4-(1-diethylamino-4-pentylamino)-3-nitrochlorobenzene

wgk_germany

WGK 3

flash_point_f

235.4 °F

flash_point_c

113 °C

ppe

Eyeshields, Gloves, type N95 (US)


Certificates of Analysis (COA)

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Synthesis of soluble polyarylenes containing alternating 4, 4'-(1, 1'-binaphthyl) and 4, 4'-(3, 3'-diphenyl) biphenyl structural units.
Percec V, et al.
Polymer Bull., 29(3-4), 271-276 (1992)
Some derivatives of 3-amino-4-(1-diethylamino-4-pentylamino)-chlorobenzene.
R L McKEE et al.
Journal of the American Chemical Society, 68(10), 1904-1904 (1946-10-01)
V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 106, 284-298 (2013-02-19)
The FT-IR and FT-Raman spectra of 4-bromo-3-nitroanisole (BNA) molecule have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. Optimized geometrical structure, harmonic vibrational frequencies, intensities, reduced mass, force constants and depolarization ratio have been computed by ab
A A Wilson et al.
Journal of medicinal chemistry, 43(16), 3103-3110 (2000-08-24)
A series of four 2-(phenylthio)araalkylamines have been radiolabeled with (11)C and evaluated as potential radiotracers for imaging the serotonin transporter (SERT) by positron emission tomography (PET). All four candidates display high affinity for SERT and low affinity for the dopamine

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