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Home >> Chemical Listing >> Page 2623 >> 1,3-Dimethyl-2-(methylsulfonyl)-5-nitrobenzene

1,3-Dimethyl-2-(methylsulfonyl)-5-nitrobenzene
[CAS# 799255-64-4]

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Identification
Name 1,3-Dimethyl-2-(methylsulfonyl)-5-nitrobenzene
Molecular Structure CAS#: 799255-64-4, 1,3-Dimethyl-2-(methylsulfonyl)-5-nitrobenzene
Molecular Formula C9H11NO4S
Molecular Weight 229.25
CAS Registry Number 799255-64-4
SMILES CC1=CC(=CC(=C1S(=O)(=O)C)C)[N+](=O)[O-]
InChI 1S/C9H11NO4S/c1-6-4-8(10(11)12)5-7(2)9(6)15(3,13)14/h4-5H,1-3H3
InChIKey AHAGHRPVBDYXSO-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 435.4±45.0°C at 760 mmHg (Cal.)
Flash point 217.1±28.7°C (Cal.)
Refractive index 1.544 (Cal.)
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