1,2,4,5-Tetrachlorobenzene
Properties
- Molecular formula
- C6H2Cl4
- Molar mass
- 215.88 g/mol
- Exact mass
- 213.8911 Da
- Density
- 183.3 g/mL
- Melting point
- 139.5 °C
- Boiling point
- 244.5 °C
- Flash point
- 155 °C (closed cup)
- Water solubility
- 595 µg/L (25 °C)
- logP
- 4.30Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed98.9% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation40.4% of notifiers
- H400 Very toxic to aquatic life55.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects55.3% of notifiers
Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-94-3SMILES
Clc1cc(Cl)c(Cl)cc1ClInChIKey
JHBKHLUZVFWLAG-UHFFFAOYSA-NInChI
InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Benzene, 1,2,4,5-tetrachloro-
- s-Tetrachlorobenzene
- NSC 27003
Work with 1,2,4,5-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
Pentachlorobenzene608-93-557 % similar
2,4,5-Trichlorobenzenethiol3773-14-656 % similar
2,4,5-Trichloroaniline636-30-656 % similar
2,4,5-Trichlorotoluene6639-30-156 % similar
2,4,5-Trichlorophenol95-95-456 % similar
1,2-Dichlorobenzene95-50-154 % similar
2,3,7,8-Tetrachlorodibenzodioxin1746-01-653 % similar
4,5-Dichloro-1,2-phenylenediamine5348-42-553 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.