3,5-Dinitrobenzoic acid[3,5-二硝基苯甲酸]

99-34-3

CAS Name

3,5-Dinitrobenzoic acid

Molecular Formula

C₇H₄N₂O₆

Molecular Mass

212.12

Compound Properties

• Melting Point (1)

  205 °C

• Density (2)

  1.498 g/cm³

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
• (2) Li, Xinbao; Journal of Chemical Thermodynamics, (2017), 105, 21-29, CAplus

Other Names and Identifiers

InChI

InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

InChIKey

InChIKey=VYWYYJYRVSBHJQ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

64582-71-4, 73881-46-6