1,2,3-Trichlorobenzene
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
- Flash point
- 112.7 °C (closed cup)
- Water solubility
- 18 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 swallowed30.7% of notifiers
- H317 May cause an allergic skin reaction88.2% of notifiers
- H400 Very toxic to aquatic life90.2% of notifiers
- H410 Very toxic to aquatic life with long lasting effects89.5% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501
Identifiers
CAS number
87-61-6SMILES
Clc1cccc(Cl)c1ClInChIKey
RELMFMZEBKVZJC-UHFFFAOYSA-NInChI
InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3HWeigh 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.