4-Bromo-3-nitrotoluene

4-Bromo-3-nitrotoluene (2-bromo-5-methylnitrobenzene, 1-bromo-4-methyl-2-nitrobenzene) is a halonitrobenzene. It has been synthesized from 4-methyl-2-nitroaniline and confirmed by 1H NMR. The crystal structure of 1-bromo-4-methyl-2-nitrobenzene is found to be orthorhombic in the Pna21 space group. Its enthalpy of vaporization at boiling point has been determined.

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Catalog Number CBB1120402
Molecular Formula CH3C6H3(NO2)Br
CAS# 5326-34-1
Purity >90%
Inchi 1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
Inchi Key UPBUTKQMDPHQAQ-UHFFFAOYSA-N
SMILES Cc1ccc(Br)c(c1)[N+]([O-])=O
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