3,5-Dinitrotoluene
CAS Registry Number®
618-85-9
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CAS Name
3,5-DinitrotolueneMolecular Formula
C7H6N2O4Molecular Mass
182.13Cite this Page
3,5-Dinitrotoluene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=618-85-9 (retrieved ) (CAS RN: 618-85-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
315 °CMelting Point (2)
93 °CDensity (2)
1.277 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChIKey
InChIKey=RUIFULUFLANOCI-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CC(N(=O)=O)=CC(C)=C1
Canonical SMILES
O=N(=O)C=1C=C(C=C(C1)C)N(=O)=O
Other Names for this Substance
- Benzene, 1-methyl-3,5-dinitro-
- Toluene, 3,5-dinitro-
- 1-Methyl-3,5-dinitrobenzene
- 3,5-Dinitrotoluene
- 3,5-DNT
