1,2,3-Trichlorobenzene

C₆H₃Cl₃CAS 87-61-6181.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₃
Molar mass: 181.44 g/mol
Exact mass: 179.9300 Da
Density: 1.4533 g/mL (at 25 °C)
Melting point: 53.5 °C
Boiling point: 218.5 °C
logP: 3.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

87-61-6

SMILES

Clc1cccc(Cl)c1Cl

InChIKey

RELMFMZEBKVZJC-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2,3-trichloro-
Vic-Trichlorobenzene
1,2,6-Trichlorobenzene
NSC 43432

Work with 1,2,3-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

1,2,3,4-Tetrachlorobenzene634-66-267 % similar 1-Bromo-2,3-dichlorobenzene56961-77-463 % similar 2,3-Dichlorobenzenethiol17231-95-760 % similar 1,2-Dichloro-3-iodobenzene2401-21-060 % similar 2,3-Dichlorotoluene32768-54-060 % similar 1,2-Dichloro-3-fluorobenzene36556-50-060 % similar 2,3-Dichlorophenol576-24-960 % similar 2,3-Dichloroaniline608-27-560 % similar

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

Same formula

1,3,5-Trichlorobenzene108-70-3 1,2,4-Trichlorobenzene120-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook