1,3,5-Trichlorobenzene

1,3,5-Trichlorobenzene

Names
IUPAC name 1,3,5-Trichlorobenzene
Other names sym-Trichlorobenzene
Identifiers
CAS Number	108-70-3 Y
3D model (Jmol)	Interactive image
ChEBI	CHEBI:49916 Y
ChEMBL	ChEMBL44228 Y
ChemSpider	7662 Y
DrugBank	DB03836 Y
ECHA InfoCard	100.003.281
RTECS number	DC2100100
InChI InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H Y Key: XKEFYDZQGKAQCN-UHFFFAOYSA-N Y InChI=1/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H Key: XKEFYDZQGKAQCN-UHFFFAOYAQ
SMILES Clc1cc(Cl)cc(Cl)c1
Properties[1]
Chemical formula	C6H3Cl3
Molar mass	181.44 g·mol−1
Appearance	White solid
Melting point	63 °C (145 °F; 336 K)
Boiling point	208 °C (406 °F; 481 K)
Solubility in water	0.6 mg/100 mL
Hazards[2]
R-phrases	R20 R21 R22
S-phrases	S26 S36 S37 S39
Flash point	107 °C (225 °F; 380 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	800 mg/kg (oral, rat) 3350 mg/kg (oral, mouse)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

1,3,5-Trichlorobenzene is an organochlorine compound. It is one of the three isomers of trichlorobenzene. Being more symmetrical than the other isomers, it exists as colourless crystals whereas the other isomers are liquids at room temperature.

It is not formed upon chlorination of benzene. Instead it is prepared by the Sandmeyer reaction from 3,5-dichloroaniline.^[3]

References

1. ↑ 1,3,5-Trichlorobenzene, International Programme on Chemical Safety
2. ↑ MSDS for 1,3,5-Trichlorobenzene
3. ↑ U. Beck, E. Löser "Chlorinated Benzenes and other Nucleus-Chlorinated Aromatic Hydrocarbons" Ullmann's Encyclopedia of Industrial Chemistry, 2012, Wiley-VCH, Weinheim. doi:10.1002/14356007.o06_o03