1,2,3,4-Tetrachlorobenzene

C₆H₂Cl₄CAS 634-66-2215.88 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₄
Molar mass: 215.88 g/mol
Exact mass: 213.8911 Da
Density: 170 g/mL
Melting point: 47.5 °C
Boiling point: 254 °C
Flash point: 112.8 °C
Water solubility: 5.92 mg/L (25 °C)
logP: 4.30Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H400 Very toxic to aquatic life88.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

634-66-2

SMILES

Clc1ccc(Cl)c(Cl)c1Cl

InChIKey

GBDZXPJXOMHESU-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzene, 1,2,3,4-tetrachloro-
NSC 50729

Work with 1,2,3,4-Tetrachlorobenzene

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-Trichlorobenzene87-61-667 % similar 2,3,4-Trichlorophenol15950-66-063 % similar Hexachlorodiphenyloxide31242-93-063 % similar 2,3,4-Trichloroaniline634-67-363 % similar 2,3,6-Trichlorotoluene2077-46-558 % similar 2,3,6-Trichlorophenol933-75-558 % similar Pentachlorobenzene608-93-556 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,5-Tetrachlorobenzene634-90-2 1,2,4,5-Tetrachlorobenzene95-94-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook