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33696-00-3

33696-00-3 Structure

33696-00-3 Structure
IdentificationMore
[Name]

4-BROMO-2-NITROANISOLE
[CAS]

33696-00-3
[Synonyms]

4-BROMO-2-NITROANISOLE
1-Methoxy-2-nitro-4-bromobenzene
[EINECS(EC#)]

251-642-5
[Molecular Formula]

C7H6BrNO3
[MDL Number]

MFCD00055529
[Molecular Weight]

232.03
[MOL File]

33696-00-3.mol
Chemical PropertiesBack Directory
[Melting point ]

87 °C
[Boiling point ]

303.3±22.0 °C(Predicted)
[density ]

1.640
[storage temp. ]

2-8°C
[form ]

Solid
[color ]

Light yellow to Yellow to Green
[InChI]

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

ORBHQHXVVMZIDP-UHFFFAOYSA-N
[SMILES]

COc1ccc(Br)cc1[N+]([O-])=O
[CAS DataBase Reference]

33696-00-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2909309090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Bromo-2-nitroanisole serves as a starting material in a Suzuki coupling with 2-furanylboronic acid MIDA ester, catalyzed by tetrakis(triphenylphosphine)palladium(0) in the presence of sodium carbonate, to give 2-(4-methoxy-3-nitrophenyl)furan[2].
[Synthesis]

4-Bromo-2-nitroanisole is obtained by nitration of p-bromoanisole in aqueous acetic acid in the presence of urea, which also affords p-nitroanisole, 2,4-dibromoanisole, p-nitrophenol and 2-bromo-4-nitrophenol as accompanying products[1].
[References]

[1] J.M. Readman. IPSO-NITRATION STUDIES. PhD Thesis. University of Canterbury.
[2] Discovery and Design of Next Generation Inhibitors to Targeting the HER2/HER3 Heterodimer and K-Ras.
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-2-NITROANISOLE(33696-00-3)1HNMR
4-BROMO-2-NITROANISOLE(33696-00-3)IR1
4-BROMO-2-NITROANISOLE(33696-00-3)IR2
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