chempirical

2,3,6-Trichlorotoluene

C7H5Cl3CAS 2077-46-5195.47 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
43–44 °C
Boiling point
118 °C (at 18 Torr)
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2077-46-5
SMILES
Cc1c(Cl)ccc(Cl)c1Cl
InChIKey
UZYYBZNZSSNYSA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,2,4-trichloro-3-methyl-
  • Toluene, 2,3,6-trichloro-
  • 1,2,4-Trichloro-3-methylbenzene

Work with 2,3,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,4-Tetrachlorobenzene634-66-258 % similar 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-057 % similar 2,6-Dichlorotoluene118-69-457 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-052 % similar 2,3-Dichlorotoluene32768-54-048 % similar 1-Chloro-2,3-dimethylbenzene608-23-148 % similar 1,2,3-Trichlorobenzene87-61-648 % similar 2-Bromo-6-chlorotoluene62356-27-846 % 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 2,5-Dichlorobenzyl chloride2745-49-5 2,3-Dichlorobenzyl chloride3290-01-5 2,4,5-Trichlorotoluene6639-30-1 2,4-Dichlorobenzyl chloride94-99-5 Benzotrichloride98-07-7

Elsewhere

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