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Home >> Chemical Listing >> Page 2780 >> 4-Bromo-3-methyl-5-nitrobenzonitrile

4-Bromo-3-methyl-5-nitrobenzonitrile
[CAS# 854627-73-9]

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Identification
Name 4-Bromo-3-methyl-5-nitrobenzonitrile
Molecular Structure CAS#: 854627-73-9, 4-Bromo-3-methyl-5-nitrobenzonitrile
Molecular Formula C8H5BrN2O2
Molecular Weight 241.04
CAS Registry Number 854627-73-9
SMILES Cc1cc(cc(c1Br)[N+](=O)[O-])C#N
InChI 1S/C8H5BrN2O2/c1-5-2-6(4-10)3-7(8(5)9)11(12)13/h2-3H,1H3
InChIKey WPMLWHKJFXJJKS-UHFFFAOYSA-N
Properties
Density 1.706g/cm3 (Cal.)
Boiling point 301.393°C at 760 mmHg (Cal.)
Flash point 136.078°C (Cal.)
Refractive index 1.621 (Cal.)
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