chempirical

1,2,4-Trichlorobenzene

C6H3Cl3CAS 120-82-1181.44 g/mol

Open in Covalent MOL file
ClClCl
Aryl halide

Properties

Molecular formula
C6H3Cl3
Molar mass
181.44 g/mol
Exact mass
179.9300 Da
Density
1.5 g/mL
Melting point
17 °C
Boiling point
213.5 °C
logP
3.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
120-82-1
SMILES
Clc1ccc(Cl)c(Cl)c1
InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H

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Names and synonyms

7 names
  • Benzene, 1,2,4-trichloro-
  • Unsym-Trichlorobenzene
  • 1,2,4-Trichlorobenzol
  • 1,2,5-Trichlorobenzene
  • Hostetex L-PEC
  • 1,3,4-Trichlorobenzene
  • NSC 406697

Work with 1,2,4-Trichlorobenzene

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

2,2′,5,5′-Tetrachlorobiphenyl35693-99-365 % similar 2,4-Dichlorobenzenethiol1122-41-457 % similar 1-Bromo-2,4-dichlorobenzene1193-72-257 % similar 2,4-Dichlorophenol120-83-257 % similar 2,4-Dichlorofluorobenzene1435-48-957 % similar 2-Bromo-1,4-dichlorobenzene1435-50-357 % similar 2,5-Dichlorotoluene19398-61-957 % similar 1,4-Dichloro-2-iodobenzene29682-41-557 % similar

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

Same formula

1,3,5-Trichlorobenzene108-70-3 1,2,3-Trichlorobenzene87-61-6

Elsewhere

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