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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.)

functional group

bromo
nitro

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

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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)
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)
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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