chempirical

2,4,5-Trichlorotoluene

C7H5Cl3CAS 6639-30-1195.47 g/mol

Open in Covalent MOL file
ClClCl
Aryl halide

Properties

Molecular formula
C7H5Cl3
Molar mass
195.47 g/mol
Exact mass
193.9457 Da
Melting point
82.4 °C
Boiling point
231 °C
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
6639-30-1
SMILES
Cc1cc(Cl)c(Cl)cc1Cl
InChIKey
ZCXHZKNWIYVQNC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,4-trichloro-5-methyl-
  • Toluene, 2,4,5-trichloro-
  • 1,2,4-Trichloro-5-methylbenzene
  • NSC 16047

Work with 2,4,5-Trichlorotoluene

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

2,5-Dichloro-P-xylene1124-05-688 % similar 1,2,4,5-Tetrachlorobenzene95-94-356 % similar 2,4-Dichloro-5-methylbenzotrifluoride115571-61-454 % similar Chloro-P-xylene95-72-752 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-452 % similar 2,5-Dichlorotoluene19398-61-950 % similar 4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-350 % similar 2,4-Dichlorotoluene95-73-850 % similar

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

Same formula

3,4-Dichlorobenzyl chloride102-47-6 2,6-Dichlorobenzyl chloride2014-83-7 2,3,6-Trichlorotoluene2077-46-5 2,5-Dichlorobenzyl chloride2745-49-5 2,3-Dichlorobenzyl chloride3290-01-5 2,4-Dichlorobenzyl chloride94-99-5 Benzotrichloride98-07-7

Elsewhere

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