1,3,5-Trichloro-2,4-dinitrobenzene

C6HCl3N2O4CAS 6284-83-9271.43 g/mol

Open in Covalent MOL file
ON+O−ClClN+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C6HCl3N2O4
Molar mass
271.43 g/mol
Exact mass
269.9002 Da
Melting point
129.5 °C
logP
3.46Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
6284-83-9
SMILES
O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl
InChIKey
BPMOJGOPWSCNHJ-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H

Weigh it out

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Names and synonyms

5 names
  • Benzene, 1,3,5-trichloro-2,4-dinitro-
  • 1,3-Dinitro-2,4,6-trichlorobenzene
  • 2,4,6-Trichloro-1,3-dinitrobenzene
  • 2,4-Dinitro-1,3,5-trichlorobenzene
  • NSC 5279

Work with 1,3,5-Trichloro-2,4-dinitrobenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,4,5-Tetrachloro-3-nitrobenzene117-18-077 % similar 2,4,6-Trichloronitrobenzene18708-70-864 % similar 1,3-Dichloro-2-nitrobenzene601-88-763 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-059 % similar Pentachloronitrobenzene82-68-858 % similar 2,4-Dichloro-3-nitrophenol38902-87-358 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-757 % similar 2,4,5-Trichloronitrobenzene89-69-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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