CAS Registry Number®
99-35-4
CAS Name
1,3,5-Trinitrobenzene
Molecular Formula
C6H3N3O6
Molecular Mass
213.10
Compound Properties
-
Boiling Point (1)
315 °C @ Press: 760 Torr
-
Melting Point (1)
122.5 °C
-
Density (1)
1.76 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey
InChIKey=UATJOMSPNYCXIX-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1
Canonical SMILES
O=N(=O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O
Other Names for this Substance
- Benzene, 1,3,5-trinitro-
- 1,3,5-Trinitrobenzene
- s-Trinitrobenzene
- 2,4,6-Trinitrobenzene
- Trinitrobenzene
- TNB
- sym-Trinitrobenzene
- TNB (nitro compound)
- NSC 36931
Deleted or Replaced CAS Registry Numbers
856948-61-3
