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 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:49916 ;
ChEMBL	ChEMBL44228 ;
ChemSpider	7662 ;
DrugBank	DB03836 ;
ECHA InfoCard	100.003.281
RTECS number	DC2100100;
UNII	2HS4M0BX3C ;
CompTox Dashboard (EPA)	DTXSID8026195 ;
	InChI InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H Key: XKEFYDZQGKAQCN-UHFFFAOYSA-N ; 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	208.0 °C (406.4 °F; 481.1 K)[2]
Solubility in water	0.6 mg/100 mL
Hazards[3]
R-phrases (outdated)	R20 R21 R22
S-phrases (outdated)	S26 S36 S37 S39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.[4]

References

1,3,5-Trichlorobenzene, International Programme on Chemical Safety
Jaw, Ching-Guang; Chen, I-Ming; Yen, Jui-Hung; Wang, Yei-Shung (December 1999). "Partial solubility parameters of chlorobenzene and chlorophenol compounds at equilibrium distribution in two immiscible phases". Chemosphere. 39 (15): 2607–2620. doi:10.1016/s0045-6535(99)00173-3. ISSN 0045-6535.
MSDS for 1,3,5-Trichlorobenzene
U. Beck; E. Löser (2012). "Chlorinated Benzenes and other Nucleus-Chlorinated Aromatic Hydrocarbons". Chlorinated Benzenes and Other Nucleus-Chlorinated Aromatic Hydrocarbons. Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.o06_o03. ISBN 978-3527306732.

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[1] 1,3,5-Trichlorobenzene, International Programme on Chemical Safety

[2] Jaw, Ching-Guang; Chen, I-Ming; Yen, Jui-Hung; Wang, Yei-Shung (December 1999). "Partial solubility parameters of chlorobenzene and chlorophenol compounds at equilibrium distribution in two immiscible phases". Chemosphere. 39 (15): 2607–2620. doi:10.1016/s0045-6535(99)00173-3. ISSN 0045-6535.

[MSDS-3] MSDS for 1,3,5-Trichlorobenzene

[4] U. Beck; E. Löser (2012). "Chlorinated Benzenes and other Nucleus-Chlorinated Aromatic Hydrocarbons". Chlorinated Benzenes and Other Nucleus-Chlorinated Aromatic Hydrocarbons. Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.o06_o03. ISBN 978-3527306732.