1,2,4-Trichlorobenzene
Properties
- Molecular formula
- C6H3Cl3
- Molar mass
- 181.44 g/mol
- Exact mass
- 179.9300 Da
- Density
- 1.5 g/mL
- Melting point
- 17 °C
- Boiling point
- 213.5 °C
- Flash point
- 105 °C (closed cup)
- Water solubility
- 49 mg/L (25 °C)
- logP
- 3.65Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-087-00-6), via PubChem.
Precautionary statements
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501
Identifiers
CAS number
120-82-1SMILES
Clc1ccc(Cl)c(Cl)c1InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1,2,4-trichloro-
- Unsym-Trichlorobenzene
- 1,2,4-Trichlorobenzol
- 1,2,5-Trichlorobenzene
- Hostetex L-PEC
- 1,3,4-Trichlorobenzene
- NSC 406697
Work with 1,2,4-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
2,2',5,5'-Tetrachlorobiphenyl35693-99-365 % similar
2,4-Dichlorobenzenethiol1122-41-457 % similar
1-Bromo-2,4-dichlorobenzene1193-72-257 % similar
2,4-Dichlorophenol120-83-257 % similar
2,4-Dichlorofluorobenzene1435-48-957 % similar
2-Bromo-1,4-dichlorobenzene1435-50-357 % similar
2,5-Dichlorotoluene19398-61-957 % similar
1,4-Dichloro-2-iodobenzene29682-41-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.