1,2,4,5-Tetrachloro-3-nitrobenzene
Properties
- Molecular formula
- C6HCl4NO2
- Molar mass
- 260.88 g/mol
- Exact mass
- 258.8761 Da
- Density
- 1.744 g/mL (at 25 °C)
- Melting point
- 99–100 °C
- Boiling point
- 304 °C
- logP
- 4.21Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
117-18-0SMILES
O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1ClInChIKey
XQTLDIFVVHJORV-UHFFFAOYSA-NInChI
InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- Folosan
- Tecnazen
- Myfusan
- Tetrachloronitrobenzene
- Napotate
- Nebulin
- 1-Nitro-2,3,5,6-tetrachlorobenzene
- TCNB (pesticide)
- NSC 10235
- Benzene, 1,2,4,5-tetrachloro-3-nitro-
- Chipman 3142
- Folosan DB 905
- Fusarex
- TCNB
- Tecnazene
- 2,3,5,6-Tetrachloronitrobenzene
- 2,3,5,6-Tetrachloro-1-nitrobenzene
Work with 1,2,4,5-Tetrachloro-3-nitrobenzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3,5-Trichloro-2,4-dinitrobenzene6284-83-977 % similar
1,2,3-Trichloro-5-nitrobenzene20098-48-064 % similar
Pentachloronitrobenzene82-68-864 % similar
2,4,6-Trichloronitrobenzene18708-70-859 % similar
1,3-Dichloro-4,6-dinitrobenzene3698-83-757 % similar
3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene115571-66-955 % similar
2,4,5-Trichloronitrobenzene89-69-055 % similar
2,3-Dichloronitrobenzene3209-22-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds