chempirical

2,4,5-Trichloronitrobenzene

C6H2Cl3NO2CAS 89-69-0226.44 g/mol

Open in Covalent MOL file
ON+O−ClClCl
Aryl halideNitro

Properties

Molecular formula
C6H2Cl3NO2
Molar mass
226.44 g/mol
Exact mass
224.9151 Da
Melting point
57.5 °C
Boiling point
288 °C
logP
3.56Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
89-69-0
SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl
InChIKey
IBRBMZRLVYKVRF-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzene, 1,2,4-trichloro-5-nitro-
  • 1,2,4-Trichloro-5-nitrobenzene
  • 2,4,5-Trichloro-1-nitrobenzene
  • 3,4,6-Trichloronitrobenzene
  • 1,4,5-Trichloro-2-nitrobenzene
  • NSC 50660
  • NSC 56980
  • NSC 60975

Work with 2,4,5-Trichloronitrobenzene

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-Dichloro-4,6-dinitrobenzene3698-83-787 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-569 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-866 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-166 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-463 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-062 % similar 2-Nitrochlorobenzene88-73-361 % similar 2,4-Dichloronitrobenzene611-06-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,4-Trichloronitrobenzene17700-09-3 2,4,6-Trichloronitrobenzene18708-70-8 1,2,3-Trichloro-5-nitrobenzene20098-48-0

Elsewhere

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